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class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2502.14234">arXiv:2502.14234</a> <span> [<a href="https://arxiv.org/pdf/2502.14234">pdf</a>, <a href="https://arxiv.org/format/2502.14234">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Machine Learning">cs.LG</span> </div> </div> <p class="title is-5 mathjax"> OBELiX: A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Therrien%2C+F">F茅lix Therrien</a>, <a href="/search/cond-mat?searchtype=author&query=Haibeh%2C+J+A">Jamal Abou Haibeh</a>, <a href="/search/cond-mat?searchtype=author&query=Sharma%2C+D">Divya Sharma</a>, <a href="/search/cond-mat?searchtype=author&query=Hendley%2C+R">Rhiannon Hendley</a>, <a href="/search/cond-mat?searchtype=author&query=Hern%C3%A1ndez-Garc%C3%ADa%2C+A">Alex Hern谩ndez-Garc铆a</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sun Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Tchagang%2C+A">Alain Tchagang</a>, <a href="/search/cond-mat?searchtype=author&query=Su%2C+J">Jiang Su</a>, <a href="/search/cond-mat?searchtype=author&query=Huberman%2C+S">Samuel Huberman</a>, <a href="/search/cond-mat?searchtype=author&query=Bengio%2C+Y">Yoshua Bengio</a>, <a href="/search/cond-mat?searchtype=author&query=Guo%2C+H">Hongyu Guo</a>, <a href="/search/cond-mat?searchtype=author&query=Shin%2C+H">Homin Shin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2502.14234v1-abstract-short" style="display: inline;"> Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by their lower effective ionic conductivity, a quantity that governs charge and discharge rates. Identifying highly ion-conductive materials using conventional theor… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2502.14234v1-abstract-full').style.display = 'inline'; document.getElementById('2502.14234v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2502.14234v1-abstract-full" style="display: none;"> Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by their lower effective ionic conductivity, a quantity that governs charge and discharge rates. Identifying highly ion-conductive materials using conventional theoretical calculations and experimental validation is both time-consuming and resource-intensive. While machine learning holds the promise to expedite this process, relevant ionic conductivity and structural data is scarce. Here, we present OBELiX, a domain-expert-curated database of $\sim$600 synthesized solid electrolyte materials and their experimentally measured room temperature ionic conductivities gathered from literature. Each material is described by their measured composition, space group and lattice parameters. A full-crystal description in the form of a crystallographic information file (CIF) is provided for ~320 structures for which atomic positions were available. We discuss various statistics and features of the dataset and provide training and testing splits that avoid data leakage. Finally, we benchmark seven existing ML models on the task of predicting ionic conductivity and discuss their performance. The goal of this work is to facilitate the use of machine learning for solid-state electrolyte materials discovery. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2502.14234v1-abstract-full').style.display = 'none'; document.getElementById('2502.14234v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 19 February, 2025; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> February 2025. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">8 pages, 3 figures and 2 tables</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2502.07251">arXiv:2502.07251</a> <span> [<a href="https://arxiv.org/pdf/2502.07251">pdf</a>, <a href="https://arxiv.org/format/2502.07251">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Chemical Physics">physics.chem-ph</span> </div> </div> <p class="title is-5 mathjax"> CO2 adsorption mechanisms in hydrated silica nanopores: Insights from grand canonical Monte Carlo to classical and ab initio molecular dynamics </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Shi%2C+J">Jihong Shi</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+T">Tao Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuyu Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Gong%2C+L">Liang Gong</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2502.07251v1-abstract-short" style="display: inline;"> Understanding interfacial phenomena in confined systems is important for optimizing CO2 capture technologies. Here, we present a comprehensive investigation of CO2 adsorption in hydrated amorphous silica nanopores through an integrated computational approach combining grand canonical Monte Carlo (GCMC), classical molecular dynamics (MD), and ab initio molecular dynamics (AIMD) simulations. The exc… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2502.07251v1-abstract-full').style.display = 'inline'; document.getElementById('2502.07251v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2502.07251v1-abstract-full" style="display: none;"> Understanding interfacial phenomena in confined systems is important for optimizing CO2 capture technologies. Here, we present a comprehensive investigation of CO2 adsorption in hydrated amorphous silica nanopores through an integrated computational approach combining grand canonical Monte Carlo (GCMC), classical molecular dynamics (MD), and ab initio molecular dynamics (AIMD) simulations. The excess adsorption isotherms reveal a marked hydration dependence, with CO2 uptake decreasing from 7.6 to 2.6 mmol/g as water content increases from 1 to 15 wt%. Analysis of adsorption kinetics demonstrates a distinctive bimodal process, characterized by rapid initial uptake followed by slower diffusion-limited adsorption, with the latter becoming increasingly dominant at higher hydration levels. Classical MD simulations reveal an inverse correlation between hydration and CO2 mobility, with self-diffusion coefficients decreasing across the studied hydration range. Density profile analysis indicates a hydration-induced transition in CO2 distribution from central pore regions to surface-proximate domains, accompanied by restructuring of interfacial water networks. Notably, AIMD simulations capture previously unrecognized chemical processes, including proton transfer mechanisms leading to surface silanol formation with characteristic O-O distances of 2.4-2.5 脜, and spontaneous CO2 hydration yielding carbonate species through water-mediated reaction pathways. These findings demonstrate the dual role of confined water as both a spatial competitor and reaction medium for CO2 capture, providing molecular-level insights with quantum mechanical accuracy for design of carbon capture materials. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2502.07251v1-abstract-full').style.display = 'none'; document.getElementById('2502.07251v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 10 February, 2025; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> February 2025. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">10 pages, 6 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2501.09968">arXiv:2501.09968</a> <span> [<a href="https://arxiv.org/pdf/2501.09968">pdf</a>, <a href="https://arxiv.org/format/2501.09968">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> In-plane anisotropy of charge density wave fluctuations in 1$T$-TiSe$_2$ </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Guo%2C+X">Xuefei Guo</a>, <a href="/search/cond-mat?searchtype=author&query=Kogar%2C+A">Anshul Kogar</a>, <a href="/search/cond-mat?searchtype=author&query=Henke%2C+J">Jans Henke</a>, <a href="/search/cond-mat?searchtype=author&query=Flicker%2C+F">Felix Flicker</a>, <a href="/search/cond-mat?searchtype=author&query=de+Juan%2C+F">Fernando de Juan</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S+X+-">Stella X. -L. Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Khayr%2C+I">Issam Khayr</a>, <a href="/search/cond-mat?searchtype=author&query=Peng%2C+Y">Yingying Peng</a>, <a href="/search/cond-mat?searchtype=author&query=Lee%2C+S">Sangjun Lee</a>, <a href="/search/cond-mat?searchtype=author&query=Krogstad%2C+M+J">Matthew J. Krogstad</a>, <a href="/search/cond-mat?searchtype=author&query=Rosenkranz%2C+S">Stephan Rosenkranz</a>, <a href="/search/cond-mat?searchtype=author&query=Osborn%2C+R">Raymond Osborn</a>, <a href="/search/cond-mat?searchtype=author&query=Ruff%2C+J+P+C">Jacob P. C. Ruff</a>, <a href="/search/cond-mat?searchtype=author&query=Lioi%2C+D+B">David B. Lioi</a>, <a href="/search/cond-mat?searchtype=author&query=Karapetrov%2C+G">Goran Karapetrov</a>, <a href="/search/cond-mat?searchtype=author&query=Campbell%2C+D+J">Daniel J. Campbell</a>, <a href="/search/cond-mat?searchtype=author&query=Paglione%2C+J">Johnpierre Paglione</a>, <a href="/search/cond-mat?searchtype=author&query=van+Wezel%2C+J">Jasper van Wezel</a>, <a href="/search/cond-mat?searchtype=author&query=Chiang%2C+T+C">Tai C. Chiang</a>, <a href="/search/cond-mat?searchtype=author&query=Abbamonte%2C+P">Peter Abbamonte</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2501.09968v1-abstract-short" style="display: inline;"> We report measurements of anisotropic triple-$q$ charge density wave (CDW) fluctuations in the transition metal dichalcogenide 1$T$-TiSe$_2$ over a large volume of reciprocal space with X-ray diffuse scattering. Above the transition temperature, $T_{\text{CDW}}$, the out-of-plane diffuse scattering is characterized by rod-like structures which indicate that the CDW fluctuations in neighboring laye… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2501.09968v1-abstract-full').style.display = 'inline'; document.getElementById('2501.09968v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2501.09968v1-abstract-full" style="display: none;"> We report measurements of anisotropic triple-$q$ charge density wave (CDW) fluctuations in the transition metal dichalcogenide 1$T$-TiSe$_2$ over a large volume of reciprocal space with X-ray diffuse scattering. Above the transition temperature, $T_{\text{CDW}}$, the out-of-plane diffuse scattering is characterized by rod-like structures which indicate that the CDW fluctuations in neighboring layers are largely decoupled. In addition, the in-plane diffuse scattering is marked by ellipses which reveal that the in-plane fluctuations are anisotropic. Our analysis of the diffuse scattering line shapes and orientations suggests that the three charge density wave components contain independent phase fluctuations. At $T_{\text{CDW}}$, long range coherence is established in both the in-plane and out-of-plane directions, consistent with the large observed value of the CDW gap compared to $T_{\text{CDW}}$, and the predicted presence of a hierarchy of energy scales. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2501.09968v1-abstract-full').style.display = 'none'; document.getElementById('2501.09968v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 17 January, 2025; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> January 2025. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2412.10668">arXiv:2412.10668</a> <span> [<a href="https://arxiv.org/pdf/2412.10668">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Quantum Physics">quant-ph</span> </div> </div> <p class="title is-5 mathjax"> Entanglement induced by Heisenberg exchange between an electron in a nested quantum dot and a qubit with relative motion </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Lin%2C+L">Lee-Che Lin</a>, <a href="/search/cond-mat?searchtype=author&query=Tan%2C+S+G">Seng Ghee Tan</a>, <a href="/search/cond-mat?searchtype=author&query=Chang%2C+C">Ching-Ray Chang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shih-Jye Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+S">Son-Hsien Chen</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2412.10668v1-abstract-short" style="display: inline;"> We propose a nested quantum dot structure for improved control of entanglement induced by the Heisenberg exchange between an electron and a qubit with relative motion. The entanglement is quantified by the mutual information (MI). The electron, initially prepared in the ground state, generally produces greater entanglement when excited to the scattering state compared to remaining in the bound sta… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2412.10668v1-abstract-full').style.display = 'inline'; document.getElementById('2412.10668v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2412.10668v1-abstract-full" style="display: none;"> We propose a nested quantum dot structure for improved control of entanglement induced by the Heisenberg exchange between an electron and a qubit with relative motion. The entanglement is quantified by the mutual information (MI). The electron, initially prepared in the ground state, generally produces greater entanglement when excited to the scattering state compared to remaining in the bound state. In the bound state, the final entanglement oscillates as a function of the qubit speed and can be tuned accordingly. In the case of long-range interaction, the normalized exchange distribution leads to substantial final entanglement, independent of the qubit moving direction, indicating that even very weak but prolonged exchange can still generate significant entanglement. In the case of short-range interaction, different moving directions lead to varying MI values. We also consider the scenario without the nested dot and find that the same maximum (among all times) MI is pre-determined solely by the initial angle between the spins. In this case, the entanglement exhibits different growth characteristics during different phases. The saturation of the MI mimics that of a strict zero-dimensional quantum dot, where exchange and time are combined into a single parameter, the amount of interaction. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2412.10668v1-abstract-full').style.display = 'none'; document.getElementById('2412.10668v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 13 December, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> December 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">7 pages, 3 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2411.19764">arXiv:2411.19764</a> <span> [<a href="https://arxiv.org/pdf/2411.19764">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Computational Physics">physics.comp-ph</span> </div> </div> <p class="title is-5 mathjax"> Chirality-Dependent Kinetics of Single-Walled Carbon Nanotubes from Machine-Learning Force Fields </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sida Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Maruyama%2C+S">Shigeo Maruyama</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Y">Yan Li</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2411.19764v1-abstract-short" style="display: inline;"> The origin of the chirality of single-walled carbon nanotubes (SWCNTs) has been a long-standing dispute. Molecular dynamics (MD) simulations driven by machine-learning force fields (MLFF), which can study the interface dynamics under near ab-initio accuracy, provides a powerful technique to reveal the formation mechanism of SWCNTs. Here, we develop a cobalt-carbon MLFF and perform growth simulatio… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2411.19764v1-abstract-full').style.display = 'inline'; document.getElementById('2411.19764v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2411.19764v1-abstract-full" style="display: none;"> The origin of the chirality of single-walled carbon nanotubes (SWCNTs) has been a long-standing dispute. Molecular dynamics (MD) simulations driven by machine-learning force fields (MLFF), which can study the interface dynamics under near ab-initio accuracy, provides a powerful technique to reveal the formation mechanism of SWCNTs. Here, we develop a cobalt-carbon MLFF and perform growth simulations on a cobalt catalyst to investigate the chirality preference of the growth of SWCNTs under the vapor-liquid-solid (VLS) regime. Through microkinetic modeling, we reproduce the observed growth and defect kinetics, demonstrating their dependence on the chirality. It is observed that while the initial chirality assignment is likely related to the configurational degeneracy of the nanotube caps, pentagon defects immediately form and resolve after nucleation. Such processes, which we name as diameter control mechanisms, not only control the diameter toward an optimum but also shift the chirality distribution drastically. Our work therefore offers a microkinetic modeling workflow for the chirality-dependent kinetics of the SWCNTs, highlighting the important contribution of the defect kinetics to the chirality origination. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2411.19764v1-abstract-full').style.display = 'none'; document.getElementById('2411.19764v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 November, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">10 pages, 7 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2411.18045">arXiv:2411.18045</a> <span> [<a href="https://arxiv.org/pdf/2411.18045">pdf</a>, <a href="https://arxiv.org/ps/2411.18045">ps</a>, <a href="https://arxiv.org/format/2411.18045">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Superconductivity">cond-mat.supr-con</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevB.110.174448">10.1103/PhysRevB.110.174448 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Structural and magnetic characterization of CeTa$_7$O$_{19}$ and YbTa$_7$O$_{19}$ with two-dimensional pseudospin-1/2 triangular lattice </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Pan%2C+F">Feihao Pan</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Songnan Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Kolesnikov%2C+A+I">Alexander I. Kolesnikov</a>, <a href="/search/cond-mat?searchtype=author&query=Stone%2C+M+B">Matthew B. Stone</a>, <a href="/search/cond-mat?searchtype=author&query=Huang%2C+J">Jiale Huang</a>, <a href="/search/cond-mat?searchtype=author&query=Xu%2C+D">Daye Xu</a>, <a href="/search/cond-mat?searchtype=author&query=Shang%2C+C">Chenglin Shang</a>, <a href="/search/cond-mat?searchtype=author&query=Shi%2C+B">Bingxian Shi</a>, <a href="/search/cond-mat?searchtype=author&query=Gui%2C+X">Xuejuan Gui</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+Z">Zhongcen Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+J">Jinchen Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+J">Juanjuan Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+H">Hongxia Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+Z">Zhengxin Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Cheng%2C+P">Peng Cheng</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2411.18045v1-abstract-short" style="display: inline;"> Triangular lattice antiferromagnets are prototypes for frustrated magnetism and may potentially realize novel quantum magnetic states such as a quantum spin liquid ground state. A recent work suggests NdTa$_7$O$_{19}$ with rare-earth triangular lattice is a quantum spin liquid candidate and highlights the large family of rare-earth heptatantalates as a framework for quantum magnetism investigation… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2411.18045v1-abstract-full').style.display = 'inline'; document.getElementById('2411.18045v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2411.18045v1-abstract-full" style="display: none;"> Triangular lattice antiferromagnets are prototypes for frustrated magnetism and may potentially realize novel quantum magnetic states such as a quantum spin liquid ground state. A recent work suggests NdTa$_7$O$_{19}$ with rare-earth triangular lattice is a quantum spin liquid candidate and highlights the large family of rare-earth heptatantalates as a framework for quantum magnetism investigation. In this paper, we report the structural and magnetic characterization of CeTa$_7$O$_{19}$ and YbTa$_7$O$_{19}$. Both compounds are isostructural to NdTa$_7$O$_{19}$ with no detectable structural disorder. For CeTa$_7$O$_{19}$, the crystal field energy levels and parameters are determined by inelastic neutron scattering measurements. Based on the crystal field result, the magnetic susceptibility data could be well fitted and explained, which reveals that CeTa$_7$O$_{19}$ is a highly anisotropic Ising triangular-lattice antiferromagnet ($g_z$/$g_{xy}$$\sim$3) with very weak exchange interaction (J$\sim$0.22~K). For YbTa$_7$O$_{19}$, millimeter sized single crystals could be grown. The anisotropic magnetization and electron spin resonance data show that YbTa$_7$O$_{19}$ has a contrasting in-plane magnetic anisotropy with $g_z$/$g_{xy}$$\sim$0.67 similar as that of YbMgGaO$_4$. The above results indicate that CeTa$_7$O$_{19}$ and YbTa$_7$O$_{19}$ with pseudospin-1/2 ground states might either be quantum spin liquid candidate materials or find applications in adiabatic demagnetization refrigeration due to the weak exchange interaction. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2411.18045v1-abstract-full').style.display = 'none'; document.getElementById('2411.18045v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 26 November, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">10 pages, 7 figures</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. B 110(2024)174448 </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2411.06668">arXiv:2411.06668</a> <span> [<a href="https://arxiv.org/pdf/2411.06668">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Ab initio investigation of layered TMGeTe3 alloys for phase-change applications </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Jiang%2C+Y">Yihui Jiang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Suyang Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+H">Hanyi Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+X">Xiaozhe Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Lei%2C+Y">Yibo Lei</a>, <a href="/search/cond-mat?searchtype=author&query=Mazzarello%2C+R">Riccardo Mazzarello</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+W">Wei Zhang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2411.06668v1-abstract-short" style="display: inline;"> Chalcogenide phase-change materials (PCMs) are one of the most mature candidates for next-generation memory technology. Recently, CrGeTe3 (CrGT) emerged as a promising PCM due to its enhanced amorphous stability and fast crystallization for embedded memory applications. The amorphous stability of CrGT was attributed to the complex layered structure of the crystalline motifs needed to initiate crys… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2411.06668v1-abstract-full').style.display = 'inline'; document.getElementById('2411.06668v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2411.06668v1-abstract-full" style="display: none;"> Chalcogenide phase-change materials (PCMs) are one of the most mature candidates for next-generation memory technology. Recently, CrGeTe3 (CrGT) emerged as a promising PCM due to its enhanced amorphous stability and fast crystallization for embedded memory applications. The amorphous stability of CrGT was attributed to the complex layered structure of the crystalline motifs needed to initiate crystallization. A subsequent computational screening work identified several similar compounds with good thermal stability, such as InGeTe3, CrSiTe3 and BiSiTe3. Here, we explore substitution of Cr in CrGT with other 3d metals, and predict four additional layered alloys to be dynamically stable, namely, ScGeTe3, TiGeTe3, ZnGeTe3 and MnGeTe3. Thorough ab initio simulations performed on both crystalline and amorphous models of these materials indicate the former three alloys to be potential PCMs with sizable resistance contrast. Furthermore, we find that crystalline MnGeTe3 exhibits ferromagnetic behavior, whereas the amorphous state probably forms a spin-glass phase. This makes MnGeTe3 a promising candidate for magnetic phase-change applications. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2411.06668v1-abstract-full').style.display = 'none'; document.getElementById('2411.06668v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 10 November, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">13 pages, 6 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2410.08205">arXiv:2410.08205</a> <span> [<a href="https://arxiv.org/pdf/2410.08205">pdf</a>, <a href="https://arxiv.org/format/2410.08205">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Quantum Physics">quant-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="High Energy Physics - Theory">hep-th</span> </div> </div> <p class="title is-5 mathjax"> Holographic View of Mixed-State Symmetry-Protected Topological Phases in Open Quantum Systems </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shijun Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+J">Jian-Hao Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Bi%2C+Z">Zhen Bi</a>, <a href="/search/cond-mat?searchtype=author&query=You%2C+Y">Yizhi You</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2410.08205v2-abstract-short" style="display: inline;"> We establish a holographic duality between d-dimensional mixed-state symmetry-protected topological phases (mSPTs) and (d+1)-dimensional subsystem symmetry-protected topological states (SSPTs). Specifically, we show that the reduced density matrix of the boundary layer of a (d+1)-dimensional SSPT with subsystem symmetry S and global symmetry G corresponds to a d-dimensional mSPT with strong S and… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2410.08205v2-abstract-full').style.display = 'inline'; document.getElementById('2410.08205v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2410.08205v2-abstract-full" style="display: none;"> We establish a holographic duality between d-dimensional mixed-state symmetry-protected topological phases (mSPTs) and (d+1)-dimensional subsystem symmetry-protected topological states (SSPTs). Specifically, we show that the reduced density matrix of the boundary layer of a (d+1)-dimensional SSPT with subsystem symmetry S and global symmetry G corresponds to a d-dimensional mSPT with strong S and weak G symmetries. Conversely, we demonstrate that the wavefunction of an SSPT can be constructed by replicating the density matrix of the corresponding lower-dimensional mSPT. This mapping links the density matrix in lower dimensions to the entanglement properties of higher-dimensional wavefunctions, providing an approach for analyzing nonlinear quantities and quantum information metrics in mixed-state systems. Our duality offers a new perspective for studying intrinsic mSPTs that are unique to open quantum systems, without pure state analogs. We show that strange correlators and twisted R茅nyi-N correlators can diagnose these nontrivial phases and explore their connection to strange correlators in pure-state SSPTs. Furthermore, we discuss several implications of this holographic duality, including a method for preparing intrinsic mSPT states through the duality. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2410.08205v2-abstract-full').style.display = 'none'; document.getElementById('2410.08205v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 13 February, 2025; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 10 October, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> October 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">27+9 pages, 14+3 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2410.03121">arXiv:2410.03121</a> <span> [<a href="https://arxiv.org/pdf/2410.03121">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Superconductivity">cond-mat.supr-con</span> </div> </div> <p class="title is-5 mathjax"> Ordering of Interstitial Iron Atoms and Local Structural Distortion Induced by Iron Polycomplex in Fe1+yTe1-xSex as Seen via Transmission Electron Microscopy </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Ma%2C+X">Xiao-Ping Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+L">Lu Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+W">Wen-Tao Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Nie%2C+J">Jing-Zhe Nie</a>, <a href="/search/cond-mat?searchtype=author&query=Tian%2C+H">Huan-Fang Tian</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+S">Shi-Long Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuai-Shuai Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Xia%2C+T">Tian-Long Xia</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+J">Jun Li</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+J">Jian-Qi Li</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+H">Huai-Xin Yang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2410.03121v1-abstract-short" style="display: inline;"> Employing aberration-corrected scanning transmission electron microscopy (STEM), we meticulously investigated the intrinsic chemical heterogeneity of Fe1+yTe, Fe1+yTe0.8Se0.2, and Fe1+yTe0.5Se0.5. Comprehensive analysis reveals the presence of interstitial iron atoms (Feint) across all samples, pre-dominantly occupying the 2c site of the P4/nmm space group. Moreover, a superstructure phase charact… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2410.03121v1-abstract-full').style.display = 'inline'; document.getElementById('2410.03121v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2410.03121v1-abstract-full" style="display: none;"> Employing aberration-corrected scanning transmission electron microscopy (STEM), we meticulously investigated the intrinsic chemical heterogeneity of Fe1+yTe, Fe1+yTe0.8Se0.2, and Fe1+yTe0.5Se0.5. Comprehensive analysis reveals the presence of interstitial iron atoms (Feint) across all samples, pre-dominantly occupying the 2c site of the P4/nmm space group. Moreover, a superstructure phase characterized by a wave vector q = 2/5a + 1/2c, originating from the ordering of Feint, is distinctly observable in the parent compound Fe1+yTe. In this scenario, the Feint atoms interact with adjacent Fe atoms, forming iron polycomplex and leading to an evident distortion of the FeTe4 tetrahedral. Experimental results further demonstrate effective suppression of Feint concentration and ordering through appropriate Se substitution; notably, Fe1+yTe0.5Se0.5 manifests the lowest concentration of Feint atoms. Our findings additionally indicate that Se substitution is random, and nanoscale phase separation induced by Te/Se chemical heterogeneity is commonly observed within Fe1+yTe1-xSex crystals. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2410.03121v1-abstract-full').style.display = 'none'; document.getElementById('2410.03121v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 3 October, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> October 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">14 pages, 5 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2409.06191">arXiv:2409.06191</a> <span> [<a href="https://arxiv.org/pdf/2409.06191">pdf</a>, <a href="https://arxiv.org/format/2409.06191">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> VQCrystal: Leveraging Vector Quantization for Discovery of Stable Crystal Structures </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Qiu%2C+Z">ZiJie Qiu</a>, <a href="/search/cond-mat?searchtype=author&query=Jin%2C+L">Luozhijie Jin</a>, <a href="/search/cond-mat?searchtype=author&query=Du%2C+Z">Zijian Du</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+H">Hongyu Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Cen%2C+Y">Yan Cen</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Siqi Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Mei%2C+Y">Yongfeng Mei</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+H">Hao Zhang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2409.06191v1-abstract-short" style="display: inline;"> Discovering functional crystalline materials through computational methods remains a formidable challenge in materials science. Here, we introduce VQCrystal, an innovative deep learning framework that leverages discrete latent representations to overcome key limitations in current approaches to crystal generation and inverse design. VQCrystal employs a hierarchical VQ-VAE architecture to encode gl… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2409.06191v1-abstract-full').style.display = 'inline'; document.getElementById('2409.06191v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2409.06191v1-abstract-full" style="display: none;"> Discovering functional crystalline materials through computational methods remains a formidable challenge in materials science. Here, we introduce VQCrystal, an innovative deep learning framework that leverages discrete latent representations to overcome key limitations in current approaches to crystal generation and inverse design. VQCrystal employs a hierarchical VQ-VAE architecture to encode global and atom-level crystal features, coupled with a machine learning-based inter-atomic potential(IAP) model and a genetic algorithm to realize property-targeted inverse design. Benchmark evaluations on diverse datasets demonstrate VQCrystal's advanced capabilities in representation learning and novel crystal discovery. Notably, VQCrystal achieves state-of-the-art performance with 91.93\% force validity and a Fr茅chet Distance of 0.152 on MP-20, indicating both strong validity and high diversity in the sampling process. To demonstrate real-world applicability, we apply VQCrystal for both 3D and 2D material design. For 3D materials, the density-functional theory validation confirmed that 63.04\% of bandgaps and 99\% of formation energies of the 56 filtered materials matched the target range. Moreover, 437 generated materials were validated as existing entries in the full database outside the training set. For the discovery of 2D materials, 73.91\% of 23 filtered structures exhibited high stability with formation energies below -1 eV/atom. Our results highlight VQCrystal's potential to accelerate the discovery of novel materials with tailored properties. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2409.06191v1-abstract-full').style.display = 'none'; document.getElementById('2409.06191v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 9 September, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> September 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">25 pages, 5 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2408.08596">arXiv:2408.08596</a> <span> [<a href="https://arxiv.org/pdf/2408.08596">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> </div> </div> <p class="title is-5 mathjax"> Observation of strong phonon-phonon coupling in one-dimensional van der Waals crystals </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shaoqi Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Lin%2C+Q">Qingyun Lin</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Y">Yihuan Li</a>, <a href="/search/cond-mat?searchtype=author&query=Kozawa%2C+D">Daichi Kozawa</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+H">Huizhen Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Maruyama%2C+S">Shigeo Maruyama</a>, <a href="/search/cond-mat?searchtype=author&query=Moon%2C+P">Pilkyung Moon</a>, <a href="/search/cond-mat?searchtype=author&query=Kariyado%2C+T">Toshikaze Kariyado</a>, <a href="/search/cond-mat?searchtype=author&query=Kitaura%2C+R">Ryo Kitaura</a>, <a href="/search/cond-mat?searchtype=author&query=Zhao%2C+S">Sihan Zhao</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2408.08596v1-abstract-short" style="display: inline;"> The phenomena of pronounced electron-electron and electron-phonon interactions in one-dimensional (1D) systems are ubiquitous, which are well described by frameworks of Luttinger liquid, Peierls instability and concomitant charge density wave. However, the experimental observation of strong phonon-phonon coupling in 1D was not demonstrated. Herein we report the first observation of strong phonon-p… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2408.08596v1-abstract-full').style.display = 'inline'; document.getElementById('2408.08596v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2408.08596v1-abstract-full" style="display: none;"> The phenomena of pronounced electron-electron and electron-phonon interactions in one-dimensional (1D) systems are ubiquitous, which are well described by frameworks of Luttinger liquid, Peierls instability and concomitant charge density wave. However, the experimental observation of strong phonon-phonon coupling in 1D was not demonstrated. Herein we report the first observation of strong phonon-phonon coupling in 1D condensed matters by using double-walled carbon nanotubes (DWNTs), representative 1D van der Waals crystals, with combining the spectroscopic and microscopic tools as well as the ab initio density functional theory (DFT) calculations. We observe uncharted phonon modes in one commensurate and three incommensurate DWNT crystals, three of which concurrently exhibit strongly-reconstructed electronic band structures. Our DFT calculations for the experimentally observed commensurate DWNT (7,7) @ (12,12) reveal that this new phonon mode originates from a (nearly) degenerate coupling between two transverse acoustic eigenmodes (ZA modes) of constituent inner and outer nanotubes having trigonal and pentagonal rotational symmetry along the nanotube circumferences. Such coupling strongly hybridizes the two phonon modes in different shells and leads to the formation of a unique lattice motion featuring evenly distributed vibrational amplitudes over inner and outer nanotubes, distinct from any known phonon modes in 1D systems. All four DWNTs that exhibit the pronounced new phonon modes show small chiral angle twists, closely matched diameter ratios of 3/5 and decreased frequencies of new phonon modes with increasing diameters, all supporting the uncovered coupling mechanism. Our discovery of strong phonon-phonon coupling in DWNTs open new opportunities for engineering phonons and exploring novel phonon-related phenomena in 1D condensed matters. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2408.08596v1-abstract-full').style.display = 'none'; document.getElementById('2408.08596v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 16 August, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> August 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2407.21427">arXiv:2407.21427</a> <span> [<a href="https://arxiv.org/pdf/2407.21427">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Superconductivity">cond-mat.supr-con</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevLett.133.056001">10.1103/PhysRevLett.133.056001 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Pressure induced nonmonotonic evolution of superconductivity in 6R-TaS2 with a natural bulk van der Waals heterostructure </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Wang%2C+S">Shaopeng Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Han%2C+Y">Yuyan Han</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sutao Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+S">Shuyang Wang</a>, <a href="/search/cond-mat?searchtype=author&query=An%2C+C">Chao An</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+C">Chunhua Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+L">Lili Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+Y">Yonghui Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+J">Jian Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+Z">Zhaorong Yang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2407.21427v1-abstract-short" style="display: inline;"> The natural bulk van der Waals heterostructures compound 6R-TaS2 consists of alternate stacking 1T- and 1H-TaS2 monolayers, creating a unique system that incorporates charge-density-wave (CDW) order and superconductivity (SC) in distinct monolayers. Here, after confirming that the 2D nature of the lattice is preserved up to 8 GPa in 6R-TaS2, we documented an unusual evolution of CDW and SC by cond… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.21427v1-abstract-full').style.display = 'inline'; document.getElementById('2407.21427v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2407.21427v1-abstract-full" style="display: none;"> The natural bulk van der Waals heterostructures compound 6R-TaS2 consists of alternate stacking 1T- and 1H-TaS2 monolayers, creating a unique system that incorporates charge-density-wave (CDW) order and superconductivity (SC) in distinct monolayers. Here, after confirming that the 2D nature of the lattice is preserved up to 8 GPa in 6R-TaS2, we documented an unusual evolution of CDW and SC by conducting highpressure electronic transport measurements. Upon compression, we observe a gradual suppression of CDW within the 1T-layers, while the SC exhibits a dome-shaped behavior that terminates at a critical pressure Pc around 2.9 GPa. By taking account of the fact that the substantial suppression of SC is concomitant with the complete collapse of CDW order at Pc, we argue that the 6R-TaS2 behaves like a stack of Josephson junctions and thus the suppressed superconductivity can be attributed to the weakening of Josephson coupling associated with the presence of CDW fluctuations in the 1T-layers. Furthermore, the SC reversely enhances above Pc, implying the development of emergent superconductivity in the 1T-layers after the melting of T-layer CDW orders. These results show that the 6R-TaS2 not only provides a promising platform to explore emergent phenomena but also serves as a model system to study the complex interactions between competing electronic states. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.21427v1-abstract-full').style.display = 'none'; document.getElementById('2407.21427v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 31 July, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> July 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">21 pages,5 figures</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. Lett. 133, 056001 (2024) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2407.19653">arXiv:2407.19653</a> <span> [<a href="https://arxiv.org/pdf/2407.19653">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Applied Physics">physics.app-ph</span> </div> </div> <p class="title is-5 mathjax"> Unraveling the role of Ta in the phase transition of Pb(Ta1+xSe2)2 using low-temperature Raman spectroscopy </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Ma%2C+Y">Yu Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+X">Xiaohui Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Ho%2C+Y+W">Yi Wei Ho</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+J">Jun Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+W">Wenjun Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Bao%2C+J">Jin-Ke Bao</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+D">Dingguan Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Lin%2C+X">Xiao Lin</a>, <a href="/search/cond-mat?searchtype=author&query=Grzeszczyk%2C+M">Magdalena Grzeszczyk</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+S">Shijie Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Breese%2C+M+B+H">Mark B H Breese</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Koperski%2C+M">Maciej Koperski</a>, <a href="/search/cond-mat?searchtype=author&query=Xu%2C+Z">Zhu-An Xu</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2407.19653v2-abstract-short" style="display: inline;"> Phase engineering strategies in two-dimensional transition metal dichalcogenides (2D-TMDs) have garnered significant attention due to their potential applications in electronics, optoelectronics, and energy storage. Various methods, including direct synthesis, pressure control, and chemical doping, have been employed to manipulate structural transitions in 2D-TMDs. Metal intercalation emerges as a… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.19653v2-abstract-full').style.display = 'inline'; document.getElementById('2407.19653v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2407.19653v2-abstract-full" style="display: none;"> Phase engineering strategies in two-dimensional transition metal dichalcogenides (2D-TMDs) have garnered significant attention due to their potential applications in electronics, optoelectronics, and energy storage. Various methods, including direct synthesis, pressure control, and chemical doping, have been employed to manipulate structural transitions in 2D-TMDs. Metal intercalation emerges as an effective technique to modulate phase transition dynamics by inserting external atoms or ions between the layers of 2D-TMDs, altering their electronic structure and physical properties. Here, we investigate the significant structural phase transitions in Pb(Ta1+xSe2)2 single crystals induced by Ta intercalation using a combination of Raman spectroscopy and first-principles calculations. The results highlight the pivotal role of Ta atoms in driving these transitions and elucidate the interplay between intercalation, phase transitions, and resulting electronic and vibrational properties in 2D-TMDs. By focusing on Pb(Ta1+xSe2)2 as an ideal case study and investigating like metal intercalation, this study advances understanding in the field and paves the way for the development of novel applications for 2D-TMDs, offering insights into the potential of these materials for future technological advancements. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.19653v2-abstract-full').style.display = 'none'; document.getElementById('2407.19653v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 8 August, 2024; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 28 July, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> July 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2407.08353">arXiv:2407.08353</a> <span> [<a href="https://arxiv.org/pdf/2407.08353">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1002/adma.202411182">10.1002/adma.202411182 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> 1D flat bands in phosphorene nanoribbons with pentagonal nature </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=You%2C+J">Jing-Yang You</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+Z">Zhihao Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Su%2C+J">Jie Su</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+T">Tong Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Peng%2C+X">Xinnan Peng</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+Y">Yihe Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Geng%2C+D">Daiyu Geng</a>, <a href="/search/cond-mat?searchtype=author&query=Gou%2C+J">Jian Gou</a>, <a href="/search/cond-mat?searchtype=author&query=Huang%2C+Y">Yuli Huang</a>, <a href="/search/cond-mat?searchtype=author&query=Duan%2C+S">Sisheng Duan</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+L">Lan Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+K">Kehui Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Feng%2C+Y+P">Yuan Ping Feng</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+J+L">Jia Lin Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Lu%2C+J">Jiong Lu</a>, <a href="/search/cond-mat?searchtype=author&query=Feng%2C+B">Baojie Feng</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+W">Wei Chen</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2407.08353v2-abstract-short" style="display: inline;"> Materials with flat bands can serve as a promising platform to investigate strongly interacting phenomena. However, experimental realization of ideal flat bands is mostly limited to artificial lattices or moir茅 systems. Here we report a general way to construct one-dimensional (1D) flat bands in phosphorene nanoribbons (PNRs) with pentagonal nature: penta-hexa-PNRs and penta-dodeca-PNRs, wherein t… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.08353v2-abstract-full').style.display = 'inline'; document.getElementById('2407.08353v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2407.08353v2-abstract-full" style="display: none;"> Materials with flat bands can serve as a promising platform to investigate strongly interacting phenomena. However, experimental realization of ideal flat bands is mostly limited to artificial lattices or moir茅 systems. Here we report a general way to construct one-dimensional (1D) flat bands in phosphorene nanoribbons (PNRs) with pentagonal nature: penta-hexa-PNRs and penta-dodeca-PNRs, wherein the corresponding 1D flat bands are directly verified by using angle-resolved photoemission spectroscopy. We confirm that the observed 1D flat bands originate from the electronic 1D zigzag and Lieb lattices, respectively, as revealed by the combination of bond-resolved scanning tunneling microscopy, scanning tunneling spectroscopy, tight-binding models, and first-principles calculations. Our study demonstrates a general way to construct 1D flat bands in 1D solid materials system, which provides a robust platform to explore strongly interacting phases of matter. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.08353v2-abstract-full').style.display = 'none'; document.getElementById('2407.08353v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 12 December, 2024; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 11 July, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> July 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">13 pages, 4 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2407.01076">arXiv:2407.01076</a> <span> [<a href="https://arxiv.org/pdf/2407.01076">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> </div> <p class="title is-5 mathjax"> Orbital origin of magnetic moment enhancement induced by charge density wave in kagome FeGe </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Han%2C+S">Shulun Han</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+L">Linyang Li</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+Q">Qi Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+L">Lingfeng Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Diao%2C+C">Caozheng Diao</a>, <a href="/search/cond-mat?searchtype=author&query=Zhao%2C+M">Mingwen Zhao</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Tian%2C+L">Lijun Tian</a>, <a href="/search/cond-mat?searchtype=author&query=Breese%2C+M+B+H">Mark B. H. Breese</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Milosevic%2C+M+V">Milorad V. Milosevic</a>, <a href="/search/cond-mat?searchtype=author&query=Qi%2C+Y">Yanpeng Qi</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2407.01076v1-abstract-short" style="display: inline;"> Interactions among various electronic states such as CDW, magnetism, and superconductivity are of high significance in strongly correlated systems. While significant progress has been made in understanding the relationship between CDW and superconductivity, the interplay between CDW and magnetic order remains largely elusive. Kagome lattices, which intertwine nontrivial topology, charge order, and… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.01076v1-abstract-full').style.display = 'inline'; document.getElementById('2407.01076v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2407.01076v1-abstract-full" style="display: none;"> Interactions among various electronic states such as CDW, magnetism, and superconductivity are of high significance in strongly correlated systems. While significant progress has been made in understanding the relationship between CDW and superconductivity, the interplay between CDW and magnetic order remains largely elusive. Kagome lattices, which intertwine nontrivial topology, charge order, and magnetism, offer an ideal platform for such studies. The kagome magnet FeGe, hosting the unique coupling between CDW and magnetism, has recently garnered considerable attention in that respect. Here we reveal the significant role of the orbital coupling effect during the CDW phase transition, highlighting the orbital origin of the magnetic moment enhancement in FeGe. Our X ray absorption experiments and first principles calculations illuminate the temperature dependent behavior of Fe3d_Ge4p orbital hybridization and corroborate its pivotal impact on the magnetic properties of FeGe. These findings introduce an orbital dimension to the correlation between charge and magnetic degrees of freedom, advancing our understanding of the intriguing quantum phases resulting from this interplay. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.01076v1-abstract-full').style.display = 'none'; document.getElementById('2407.01076v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 1 July, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> July 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2407.00308">arXiv:2407.00308</a> <span> [<a href="https://arxiv.org/pdf/2407.00308">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> The role of lattice thermal conductivity suppression by dopants from a holistic perspective </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Dai%2C+S">Shengnan Dai</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+S">Shijie Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sheng%2C+Y">Ye Sheng</a>, <a href="/search/cond-mat?searchtype=author&query=Dong%2C+E">Erting Dong</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sheng Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Xi%2C+L">Lili Xi</a>, <a href="/search/cond-mat?searchtype=author&query=Snyder%2C+G+J">G. Jeffrey Snyder</a>, <a href="/search/cond-mat?searchtype=author&query=Xi%2C+J">Jinyang Xi</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+J">Jiong Yang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2407.00308v1-abstract-short" style="display: inline;"> Dopants play an important role in improving electrical and thermal transport. In the traditional perspective, a dopant suppresses lattice thermal conductivity kL by adding point defect (PD) scattering term to the phonon relaxation time, which has been adopted for decades. In this study, we propose an innovative perspective to solve the kL of defective systems-the holistic approach, i.e., treating… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.00308v1-abstract-full').style.display = 'inline'; document.getElementById('2407.00308v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2407.00308v1-abstract-full" style="display: none;"> Dopants play an important role in improving electrical and thermal transport. In the traditional perspective, a dopant suppresses lattice thermal conductivity kL by adding point defect (PD) scattering term to the phonon relaxation time, which has been adopted for decades. In this study, we propose an innovative perspective to solve the kL of defective systems-the holistic approach, i.e., treating dopant and matrix as a holism. This approach allows us to handle the influences from defects explicitly by the calculations of defective systems, about their changed phonon dispersion, phonon-phonon and electron-phonon interaction, etc, due to the existence of dopants. The kL reduction between defective MxNb1-xFeSb (M=V, Ti) and NbFeSb is used as an example for the holistic approach, and comparable results with experiments are obtained. It is notable that light elemental dopants also induced the avoided-crossing behavior. It can be further rationalized by a one-dimensional atomic chain model. The mass and force constant imbalance generally generates the avoided-crossing phonons, mathematically in a similar way as the coefficients in traditional PD scattering, but along a different direction in kL reduction. Our work provides another perspective for understanding the mechanism of dopants influence in material's thermal transport. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2407.00308v1-abstract-full').style.display = 'none'; document.getElementById('2407.00308v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 June, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> July 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2406.18041">arXiv:2406.18041</a> <span> [<a href="https://arxiv.org/pdf/2406.18041">pdf</a>, <a href="https://arxiv.org/format/2406.18041">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Quantum Physics">quant-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Statistical Mechanics">cond-mat.stat-mech</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevB.110.134301">10.1103/PhysRevB.110.134301 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Emergence of the Gibbs ensemble as a steady state in Lindbladian dynamics </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shi-Kang Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+S">Shu Chen</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2406.18041v3-abstract-short" style="display: inline;"> We explicitly construct unique non-equilibrium steady state (NESS) of Lindblad master equation characterized by a Gibbs ensemble $蟻_{\text{NESS}} \propto e^{-尾\tilde{H}}$, where the effective hamiltonian $\tilde{H}$ is an element in the center of the commutant algebra $\mathcal{C}$ of the original hamiltonian. Specifically, if $\mathcal{C}$ is Abelian, then $\tilde{H}$ consists only of $U(1)$ cons… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2406.18041v3-abstract-full').style.display = 'inline'; document.getElementById('2406.18041v3-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2406.18041v3-abstract-full" style="display: none;"> We explicitly construct unique non-equilibrium steady state (NESS) of Lindblad master equation characterized by a Gibbs ensemble $蟻_{\text{NESS}} \propto e^{-尾\tilde{H}}$, where the effective hamiltonian $\tilde{H}$ is an element in the center of the commutant algebra $\mathcal{C}$ of the original hamiltonian. Specifically, if $\mathcal{C}$ is Abelian, then $\tilde{H}$ consists only of $U(1)$ conserved charges of the original Hamiltonian. When the original Hamiltonian has multiple charges, it is possible to couple them with bathes at different temperature respectively, but still leads to an equilibrium state. Multiple steady states arise if the number of bathes is less than the number of charges. To access the Gibbs NESS, the jump operators need to be properly chosen to fulfill quantum detailed balance condition (qDBC). These jump operators are ladder operators for $\tilde{H}$ and jump process they generate form a vertex-weighted directed acyclic graph (wDAG). By studying the XX model and Fredkin model, we showcase how the Gibbs state emerges as an equilibrium steady state. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2406.18041v3-abstract-full').style.display = 'none'; document.getElementById('2406.18041v3-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 26 February, 2025; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 25 June, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> June 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">Updated: 10 pages, 7 figures. Better layout. Comments are welcome!</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. B 110, 134301 (2024) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2405.16831">arXiv:2405.16831</a> <span> [<a href="https://arxiv.org/pdf/2405.16831">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> </div> <p class="title is-5 mathjax"> Spectroscopic origin of giant anomalous Hall effect in an interwoven magnetic kagome metal </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Cheng%2C+E">Erjian Cheng</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+K">Kaipu Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Hao%2C+Y">Yiqing Hao</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+W">Wenqing Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Tan%2C+H">Hengxin Tan</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Z">Zongkai Li</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+M">Meixiao Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Gao%2C+W">Wenli Gao</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+D">Di Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuaishuai Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Ying%2C+T">Tianping Ying</a>, <a href="/search/cond-mat?searchtype=author&query=Nie%2C+S">Simin Nie</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Y">Yiwei Li</a>, <a href="/search/cond-mat?searchtype=author&query=Schnelle%2C+W">Walter Schnelle</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+H">Houke Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+X">Xingjiang Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Koban%2C+R">Ralf Koban</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+Y">Yulin Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Yan%2C+B">Binghai Yan</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+Y">Yi-feng Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+W">Weida Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+Z">Zhongkai Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Felser%2C+C">Claudia Felser</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2405.16831v2-abstract-short" style="display: inline;"> The discovery of a giant anomalous Hall effect (AHE) and its novel mechanism holds significant promise for advancing both fundamental research and practical applications. Magnetic kagome lattice materials are uniquely suited for studying the AHE due to their interplay between electronic structure, topology, and magnetism. However, the geometric frustration inherent in kagome lattices often limits… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2405.16831v2-abstract-full').style.display = 'inline'; document.getElementById('2405.16831v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2405.16831v2-abstract-full" style="display: none;"> The discovery of a giant anomalous Hall effect (AHE) and its novel mechanism holds significant promise for advancing both fundamental research and practical applications. Magnetic kagome lattice materials are uniquely suited for studying the AHE due to their interplay between electronic structure, topology, and magnetism. However, the geometric frustration inherent in kagome lattices often limits the configuration and tunability of magnetic order. Here, we present a new design strategy for kagome-lattice materials with emergent magnetism, exemplified by the magnetic kagome metal TbTi$_3$Bi$_4$, which features interwoven magnetic Tb zigzag chains and non-magnetic Ti kagome bilayers. This material exhibits a record-high anomalous Hall conductivity (AHC) of 10$^5$ $惟^{-1}$ cm$^{-1}$. Spectroscopy measurements reveal a large band folding gap observed via angle-resolved photoemission spectroscopy, coexisting spin-density-wave (SDW) order detected through spin-polarized scanning tunneling spectroscopy, and a spiral magnetic order with large magnetic moments identified by neutron diffraction. These findings highlight a strong electron-magnetic coupling between itinerant charges and ordered magnetic moments, offering a spectroscopic explanation for the giant AHC in TbTi$_3$Bi$_4$. This work establishes a pathway for innovative material design strategies, unlocking new possibilities for future exploration and applications in quantum and spintronic technologies. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2405.16831v2-abstract-full').style.display = 'none'; document.getElementById('2405.16831v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 30 December, 2024; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 27 May, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> May 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2405.12592">arXiv:2405.12592</a> <span> [<a href="https://arxiv.org/pdf/2405.12592">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Superconductivity">cond-mat.supr-con</span> </div> </div> <p class="title is-5 mathjax"> Spin-polarized p-wave superconductivity in the kagome material RbV$_3$Sb$_5$ </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Wang%2C+S">Shuo Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Feng%2C+X">Xilin Feng</a>, <a href="/search/cond-mat?searchtype=author&query=Fang%2C+J">Jing-Zhi Fang</a>, <a href="/search/cond-mat?searchtype=author&query=Peng%2C+J">Jia-Peng Peng</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+Z">Zi-Ting Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+J">Jia-Jie Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+J">Jingchao Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhao%2C+J">Jia-Ji Zhao</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+J">Jian-Kun Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+X">Xin-Jie Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+Z">Ze-Nan Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shengbiao Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Kang%2C+N">Ning Kang</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+X">Xiao-Song Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+Z">Zhensheng Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Fu%2C+X">Xuewen Fu</a>, <a href="/search/cond-mat?searchtype=author&query=Law%2C+K+T">Kam Tuen Law</a>, <a href="/search/cond-mat?searchtype=author&query=Lin%2C+B">Ben-Chuan Lin</a>, <a href="/search/cond-mat?searchtype=author&query=Yu%2C+D">Dapeng Yu</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2405.12592v1-abstract-short" style="display: inline;"> The study of kagome materials has attracted much attention in the past few years due to the presence of many electron-electron interaction-driven phases in a single material.In this work, we report the discovery of intrinsic spin-polarized p-wave superconductivity in the thin-flake kagome material RbV$_3$Sb$_5$. Firstly, when an in-plane magnetic field is swept in opposite directions, we observe a… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2405.12592v1-abstract-full').style.display = 'inline'; document.getElementById('2405.12592v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2405.12592v1-abstract-full" style="display: none;"> The study of kagome materials has attracted much attention in the past few years due to the presence of many electron-electron interaction-driven phases in a single material.In this work, we report the discovery of intrinsic spin-polarized p-wave superconductivity in the thin-flake kagome material RbV$_3$Sb$_5$. Firstly, when an in-plane magnetic field is swept in opposite directions, we observe a unique form of hysteresis in magnetoresistance which is different from the hysteresis induced by extrinsic mechanisms such as flux-trapping or superheating and supercooling effects. The unconventional hysteresis indicates the emergence of an intrinsic time-reversal symmetry-breaking superconducting phase. Strikingly, at a fixed magnetic field, the finite-resistance state can be quenched to the zero-resistance state by applying a large current. Secondly, at temperatures around 400 mK, the re-entrance of superconductivity occurs during an in-plane field-sweeping process with a fixed sweeping direction. This kind of re-entrance is asymmetric about the zero field axis and observed in all field directions for a fixed current direction, which is different from the re-entrance observed in conventional superconductors. Moreover, the angle-dependent in-plane critical field measurements reveal a two-fold symmetry that deviates from the original, centrosymmetric D$_{6h}$ point group symmetry of the crystal. These findings put very strong constraints on the possible superconducting pairing symmetry of RbV$_3$Sb$_5$. We point out that the pairing symmetry, which is consistent with the crystal symmetry and all the observed novel properties, is a time-reversal symmetry-breaking, p-wave pairing with net spin polarization. Importantly, this p-wave pairing gives rise to a nodal topological superconducting state with Majorana flat bands on the sample edges. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2405.12592v1-abstract-full').style.display = 'none'; document.getElementById('2405.12592v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 21 May, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> May 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">21 pages, 4 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2405.07413">arXiv:2405.07413</a> <span> [<a href="https://arxiv.org/pdf/2405.07413">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Unraveling Anisotropic Hybridizations of Solid-state Electrolyte Nano-films in Li-ion Batteries </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Ning%2C+Y">Yuanjie Ning</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+W">Wenjun Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Dai%2C+L">Liang Dai</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Zeng%2C+Z">Zhigang Zeng</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+D">Dengsong Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Breese%2C+M+B+H">Mark B. H. Breese</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2405.07413v1-abstract-short" style="display: inline;"> Li2WO4 (LWO) is recognized for its potential as a solid-state electrolyte and it has demonstrated the ability to enhance the electrochemical performance of LiCoO2 (LCO) cathodes in Li-ion batteries. However, prior investigations into LWO have predominantly involved polycrystalline structures, thereby lacking a comprehensive understanding of its behavior when interfaced with single crystal systems,… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2405.07413v1-abstract-full').style.display = 'inline'; document.getElementById('2405.07413v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2405.07413v1-abstract-full" style="display: none;"> Li2WO4 (LWO) is recognized for its potential as a solid-state electrolyte and it has demonstrated the ability to enhance the electrochemical performance of LiCoO2 (LCO) cathodes in Li-ion batteries. However, prior investigations into LWO have predominantly involved polycrystalline structures, thereby lacking a comprehensive understanding of its behavior when interfaced with single crystal systems, particularly those intricately connected to LCO. In this study, we employ pulsed laser deposition (PLD) to epitaxially synthesize LWO nano-films on LCO layers with different orientations. Based on a series of high-resolution synchrotron-based techniques including X-ray absorption spectroscopy (XAS) and X-ray photoemission spectroscopy (XPS), the electronic structure of LWO is carefully scrutinized where a higher main energy level of W5d(eg)-O2p orbitals hybridization in LWO/LCO(104) as compared to LWO/LCO(003) has been observed. This experimental finding is further validated by a comprehensive set of density of states calculations. Furthermore, detailed polarized XAS characterization unveils distinct anisotropy between the two oriented LWO configurations. This comprehensive scientific investigation, harnessing the capabilities of synchrotron-based techniques, provides invaluable insights for future studies, offering guidance for the optimized utilization of LWO as a solid-state electrolyte or modification layer for LCO cathodes in high-powered Li-ion batteries. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2405.07413v1-abstract-full').style.display = 'none'; document.getElementById('2405.07413v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 12 May, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> May 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">8 pages, 5 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2404.19193">arXiv:2404.19193</a> <span> [<a href="https://arxiv.org/pdf/2404.19193">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Optics">physics.optics</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Plasma Physics">physics.plasm-ph</span> </div> </div> <p class="title is-5 mathjax"> Tunable Collective Excitations in Epitaxial Perovskite Nickelates </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+M">Mengxia Sun</a>, <a href="/search/cond-mat?searchtype=author&query=He%2C+X">Xu He</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+M">Mingyao Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+X">Xiongfang Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Dai%2C+L">Liang Dai</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+J">Jishan Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zeng%2C+Z">Zhigang Zeng</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Breese%2C+M+B+H">Mark B. H. Breese</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Du%2C+Y">Yingge Du</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+L">Le Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2404.19193v2-abstract-short" style="display: inline;"> The formation of plasmons through the collective excitation of charge density has generated intense discussions, offering insights to fundamental sciences and potential applications. While the underlying physical principles have been well-established, the effects of many-body interactions and orbital hybridization on plasmonic dynamics remain understudied. In this work, we present the observation… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.19193v2-abstract-full').style.display = 'inline'; document.getElementById('2404.19193v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2404.19193v2-abstract-full" style="display: none;"> The formation of plasmons through the collective excitation of charge density has generated intense discussions, offering insights to fundamental sciences and potential applications. While the underlying physical principles have been well-established, the effects of many-body interactions and orbital hybridization on plasmonic dynamics remain understudied. In this work, we present the observation of conventional metallic and correlated plasmons in epitaxial La1-xSrxNiO3 (LSNO) films with varying Sr doping concentrations (x = 0, 0.125, 0.25), unveiling their intriguing evolution. Unlike samples at other doping concentrations, the x = 0.125 intermediate doping sample does not exhibit the correlated plasmons despite showing high optical conductivity. Through a comprehensive experimental investigation using spectroscopic ellipsometry and X-ray absorption spectroscopy, the O2p-Ni3d orbital hybridization for LSNO with a doping concentration of x = 0.125 is found to be significantly enhanced, alongside a considerable weakening of its effective correlation U*. These factors account for the absence of correlated plasmons and the high optical conductivity observed in LSNO (0.125). Our results underscore the profound impact of orbital hybridization on the electronic structure and the formation of plasmon in strongly-correlated systems. This in turn suggest that LSNO could serve as a promising alternative material in optoelectronic devices. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.19193v2-abstract-full').style.display = 'none'; document.getElementById('2404.19193v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 1 June, 2024; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 29 April, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2404.18430">arXiv:2404.18430</a> <span> [<a href="https://arxiv.org/pdf/2404.18430">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Applied Physics">physics.app-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Realization of a Two-Dimensional Lieb Lattice in a Metal-Inorganic Framework with Flat Bands and Topological Edge States </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Wu%2C+W">Wenjun Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+J">Jing Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Ma%2C+Y">Yu Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+L">Lingfeng Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Zhong%2C+J">Jianxin Zhong</a>, <a href="/search/cond-mat?searchtype=author&query=Milo%C5%A1evi%C4%87%2C+M+V">Milorad V. Milo拧evi膰</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2404.18430v1-abstract-short" style="display: inline;"> Flat bands and Dirac cones in materials are at the source of the exotic electronic and topological properties. The Lieb lattice is expected to host these electronic structures, arising from quantum destructive interference. Nevertheless, the experimental realization of a two-dimensional Lieb lattice remained challenging to date due to its intrinsic structural instability. After computationally des… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.18430v1-abstract-full').style.display = 'inline'; document.getElementById('2404.18430v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2404.18430v1-abstract-full" style="display: none;"> Flat bands and Dirac cones in materials are at the source of the exotic electronic and topological properties. The Lieb lattice is expected to host these electronic structures, arising from quantum destructive interference. Nevertheless, the experimental realization of a two-dimensional Lieb lattice remained challenging to date due to its intrinsic structural instability. After computationally designing a Platinum-Phosphorus (Pt-P) Lieb lattice, we have successfully overcome its structural instability and synthesized it on a gold substrate via molecular beam epitaxy. Low-temperature scanning tunneling microscopy and spectroscopy verified the Lieb lattice's morphology and electronic flat bands. Furthermore, topological Dirac edge states stemming from pronounced spin-orbit coupling induced by heavy Pt atoms have been predicted. These findings convincingly open perspectives for creating metal-inorganic framework-based atomic lattices, offering prospects for strongly correlated phases interplayed with topology. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.18430v1-abstract-full').style.display = 'none'; document.getElementById('2404.18430v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 April, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">24 pages,11 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2404.18412">arXiv:2404.18412</a> <span> [<a href="https://arxiv.org/pdf/2404.18412">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> </div> <p class="title is-5 mathjax"> Uncovering an Interfacial Band Resulting from Orbital Hybridization in Nickelate Heterostructures </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Chen%2C+M">Mingyao Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+H">Huimin Liu</a>, <a href="/search/cond-mat?searchtype=author&query=He%2C+X">Xu He</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+M">Minjuan Li</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+M">Mengxia Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Koirala%2C+K+P">Krishna Prasad Koirala</a>, <a href="/search/cond-mat?searchtype=author&query=Bowden%2C+M+E">Mark E. Bowden</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Y">Yangyang Li</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+X">Xiongfang Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+D">Difan Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Breese%2C+M+B+H">Mark B. H. Breese</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Du%2C+Y">Yingge Du</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+L">Le Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2404.18412v1-abstract-short" style="display: inline;"> The interaction of atomic orbitals at the interface of perovskite oxide heterostructures has been investigated for its profound impact on the band structures and electronic properties, giving rise to unique electronic states and a variety of tunable functionalities. In this study, we conducted an extensive investigation of the optical and electronic properties of epitaxial NdNiO3 thin films grown… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.18412v1-abstract-full').style.display = 'inline'; document.getElementById('2404.18412v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2404.18412v1-abstract-full" style="display: none;"> The interaction of atomic orbitals at the interface of perovskite oxide heterostructures has been investigated for its profound impact on the band structures and electronic properties, giving rise to unique electronic states and a variety of tunable functionalities. In this study, we conducted an extensive investigation of the optical and electronic properties of epitaxial NdNiO3 thin films grown on a series of single crystal substrates. Unlike films synthesized on other substrates, NdNiO3 on SrTiO3 (NNO/STO) gives rise to a unique band structure which features an additional unoccupied band situated above the Fermi level. Our comprehensive investigation, which incorporated a wide array of experimental techniques and density functional theory calculations, revealed that the emergence of the interfacial band structure is primarily driven by the orbital hybridization between Ti 3d orbitals of the STO substrate and O 2p orbitals of the NNO thin film. Furthermore, exciton peaks have been detected in the optical spectra of the NNO/STO film, attributable to the pronounced electron-electron (e-e) and electron-hole (e-h) interactions propagating from the STO substrate into the NNO film. These findings underscore the substantial influence of interfacial orbital hybridization on the electronic structure of oxide thin-films, thereby offering key insights into tuning their interfacial properties. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.18412v1-abstract-full').style.display = 'none'; document.getElementById('2404.18412v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 April, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">26 pages,4 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2404.18050">arXiv:2404.18050</a> <span> [<a href="https://arxiv.org/pdf/2404.18050">pdf</a>, <a href="https://arxiv.org/format/2404.18050">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Deformability, inherent mechanical properties and chemical bonding of Al11Nd3 in Al-Nd target material </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Wang%2C+X">Xue-Qian Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Song%2C+R">Run-Xin Song</a>, <a href="/search/cond-mat?searchtype=author&query=Guan%2C+X">Xu Guan</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+S">Shuan Li</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuchen Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+H">Hongbo Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+D">Daogao Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Tu%2C+G">Ganfeng Tu</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+S">Song Li</a>, <a href="/search/cond-mat?searchtype=author&query=Yan%2C+H">Hai-Le Yan</a>, <a href="/search/cond-mat?searchtype=author&query=Zuo%2C+L">Liang Zuo</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2404.18050v1-abstract-short" style="display: inline;"> Microstructure uniformity of the Al-Nd target materials with Al11Nd3 significantly affects the performance of the fabricated film, which is widely used as wiring material in largesize thin-film transistor liquid crystal display (TFT-LCD) panels. Understanding the inherent mechanical properties and chemical bonds of Al11Nd3 is crucial for homogenizing the Al-Nd target. Here, by a combined experimen… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.18050v1-abstract-full').style.display = 'inline'; document.getElementById('2404.18050v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2404.18050v1-abstract-full" style="display: none;"> Microstructure uniformity of the Al-Nd target materials with Al11Nd3 significantly affects the performance of the fabricated film, which is widely used as wiring material in largesize thin-film transistor liquid crystal display (TFT-LCD) panels. Understanding the inherent mechanical properties and chemical bonds of Al11Nd3 is crucial for homogenizing the Al-Nd target. Here, by a combined experimental and ab-initio theoretical study, the microstructure and deformability of the Al-3wt%Nd alloy and the inherent mechanical properties and chemical bonds of Al11Nd3 are investigated comprehensively. The Al-3wt%Nd alloy is composed of the pre-eutectic 伪-Al matrix and the eutectic 伪-Al and a high stable 伪-Al11Nd3 phases. During the plastic deformation, the eutectic microstructure transforms from a cellular to a lamellar shape, while the morphology and dimension of 伪-Al11Nd3 are not changed significantly. By examining ideal tensile strength, elastic moduli, hardness and brittleness-ductility, the hardnessbrittleness of 伪-Al11Nd3 is quantitatively evaluated, accounting for its difficulties of plastic deformation and fragmentation. Combining band structure, population analysis, topological analysis and crystal orbital Hamilton population, it is revealed that 伪-Al11Nd3 possesses two types of chemical bonds: the Nd-Al and Al-Al bonds. The former is a typical ionic bond with electron transfer from Nd to Al, while the latter, dominated by both 3s-3p and 3p-3p interactions, is a weak covalent bond. The mixed chemical bond is responsible for the high hardness-brittleness of 伪-Al11Nd3. This work is expected to lay a foundation for Al-Nd alloy and catalyze the fabrication of high-quality Al-Nd target materials. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.18050v1-abstract-full').style.display = 'none'; document.getElementById('2404.18050v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 27 April, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">11 figures,5 tables</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2404.05845">arXiv:2404.05845</a> <span> [<a href="https://arxiv.org/pdf/2404.05845">pdf</a>, <a href="https://arxiv.org/format/2404.05845">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Disordered Systems and Neural Networks">cond-mat.dis-nn</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Statistical Mechanics">cond-mat.stat-mech</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> </div> <p class="title is-5 mathjax"> Quasispins of vacancy defects and their interactions in disordered antiferromagnets </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sedik%2C+M">Muhammad Sedik</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shijun Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Ramirez%2C+A+P">Arthur P. Ramirez</a>, <a href="/search/cond-mat?searchtype=author&query=Syzranov%2C+S">Sergey Syzranov</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2404.05845v2-abstract-short" style="display: inline;"> Vacancy defects in disordered magnetic materials are known to act as effective spins, ``quasispins'', in response to an external magnetic field. In the dilute limit, the contributions of such ``quasispins'' to the magnetic susceptibility $蠂_\text{vac}(T)\propto N_\text{vac}/T$ are singular in the limit of low temperatures $T$ and match those of free spins. With increasing the density of vacancies,… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.05845v2-abstract-full').style.display = 'inline'; document.getElementById('2404.05845v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2404.05845v2-abstract-full" style="display: none;"> Vacancy defects in disordered magnetic materials are known to act as effective spins, ``quasispins'', in response to an external magnetic field. In the dilute limit, the contributions of such ``quasispins'' to the magnetic susceptibility $蠂_\text{vac}(T)\propto N_\text{vac}/T$ are singular in the limit of low temperatures $T$ and match those of free spins. With increasing the density of vacancies, their interactions may become essential. Motivated by frustrated and quasi-one-dimensional magnetic materials, we study analytically quasispins and their interactions in a generic system that has short-range antiferromagnetic order and lacks long-range order. We predict that if the vacancy defect does not disrupt the short-range antiferromagnetic order around it, the quasispin value matches the value of spins of the magnetic atoms in the material, and the correlators of the quasispins of different vacancies match the spin-spin correlators in the vacancy-free material. We confirm our conclusions by exact calculations for Ising chains with nearest-neighbour and next-to-nearest-neighbour interactions. We also compute the first virial correction to the susceptibility of a magnetic material due to the interactions of vacancy quasispins. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2404.05845v2-abstract-full').style.display = 'none'; document.getElementById('2404.05845v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 17 January, 2025; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 8 April, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2024. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2401.06741">arXiv:2401.06741</a> <span> [<a href="https://arxiv.org/pdf/2401.06741">pdf</a>, <a href="https://arxiv.org/ps/2401.06741">ps</a>, <a href="https://arxiv.org/format/2401.06741">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevMaterials.8.074006">10.1103/PhysRevMaterials.8.074006 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Magnetic properties of van der Waals layered single crystals DyOBr and SmOCl </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Pan%2C+F">Feihao Pan</a>, <a href="/search/cond-mat?searchtype=author&query=Xu%2C+D">Daye Xu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Songnan Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Huang%2C+J">Jiale Huang</a>, <a href="/search/cond-mat?searchtype=author&query=Shang%2C+C">Chenglin Shang</a>, <a href="/search/cond-mat?searchtype=author&query=Shi%2C+B">Bingxian Shi</a>, <a href="/search/cond-mat?searchtype=author&query=Gui%2C+X">Xuejuan Gui</a>, <a href="/search/cond-mat?searchtype=author&query=Qin%2C+J">Jianfei Qin</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+H">Hongliang Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Hao%2C+L">Lijie Hao</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+J">Jinchen Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+J">Juanjuan Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+H">Hongxia Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Cheng%2C+P">Peng Cheng</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2401.06741v2-abstract-short" style="display: inline;"> Two-dimensional van der Waals single crystals DyOBr and SmOCl have been grown by flux method and their anisotropic magnetic properties are reported. DyOBr orders antiferromagnetically at T$_{N}$=9.5 K with magnetic moments lying along $a$-axis, similar as DyOCl. Its magnetic susceptibility shows an anomaly at T$^{*}$=30 K possibly due to the crystal field effect. Furthermore a 1/3 magnetization pl… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2401.06741v2-abstract-full').style.display = 'inline'; document.getElementById('2401.06741v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2401.06741v2-abstract-full" style="display: none;"> Two-dimensional van der Waals single crystals DyOBr and SmOCl have been grown by flux method and their anisotropic magnetic properties are reported. DyOBr orders antiferromagnetically at T$_{N}$=9.5 K with magnetic moments lying along $a$-axis, similar as DyOCl. Its magnetic susceptibility shows an anomaly at T$^{*}$=30 K possibly due to the crystal field effect. Furthermore a 1/3 magnetization plateau is clearly observed under H$\parallel$a and H$\parallel$[110], which might be a field-induced spin-flop phase or some exotic quantum magnetic state. On the other hand, isostructural SmOCl undergoes an antiferromagnetic transition at T$_{N}$=7.1 K and exhibits a contrasting Ising-like perpendicular $c$-axis magnetic anisotropy, which could be well explained by our crystal field calculations. Both DyOBr and SmOCl are insulators with band gap of $\sim$5 eV, our results suggest they are promising in building van der Waals heterostructures and applications in multifunctional devices. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2401.06741v2-abstract-full').style.display = 'none'; document.getElementById('2401.06741v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 7 July, 2024; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 12 January, 2024; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> January 2024. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">6 pages, 5 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2312.17419">arXiv:2312.17419</a> <span> [<a href="https://arxiv.org/pdf/2312.17419">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Applied Physics">physics.app-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1063/5.0236807">10.1063/5.0236807 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Small polarons mediated near-room-temperature metal-insulator transition in vanadium dioxide and their hopping dynamics </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Liu%2C+X">Xiongfang Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+T">Tong Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+S">Shanquan Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+J">Jing Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+C+S">Chi Sin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Ning%2C+Y">Yuanjie Ning</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+Z">Zuhuang Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Dai%2C+L">Liang Dai</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+M">Mengxia Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+M">Mingyao Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Han%2C+K">Kun Han</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+D">Difan Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Zeng%2C+S">Shengwei Zeng</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+S">Sensen Li</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+M">Ming Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Breese%2C+M+B+H">Mark B. H. Breese</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+C">Chuanbing Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Venkatesan%2C+T">Thirumalai Venkatesan</a>, <a href="/search/cond-mat?searchtype=author&query=Wee%2C+A+T+S">Andrew T. S. Wee</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+X">Xinmao Yin</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2312.17419v2-abstract-short" style="display: inline;"> Researchers pursuing advanced photoelectric devices have discovered near room-temperature metal-insulator transitions (MIT) in non-volatile VO2. Despite theoretical investigations suggesting that polaron dynamics mediate the MIT, direct experimental evidence remains scarce. In this study, we present direct evidence of the polaron state in insulating VO2 through high-resolution spectroscopic ellips… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2312.17419v2-abstract-full').style.display = 'inline'; document.getElementById('2312.17419v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2312.17419v2-abstract-full" style="display: none;"> Researchers pursuing advanced photoelectric devices have discovered near room-temperature metal-insulator transitions (MIT) in non-volatile VO2. Despite theoretical investigations suggesting that polaron dynamics mediate the MIT, direct experimental evidence remains scarce. In this study, we present direct evidence of the polaron state in insulating VO2 through high-resolution spectroscopic ellipsometry measurements and first-principles calculations. We illustrate the complementary role of polaron dynamics in facilitating Peierls and Mott transitions, thereby contributing to the MIT processes. Furthermore, our observations and characterizations of conventional metallic and correlated plasmons in the respective phases of the VO2 film offer valuable insights into their electron structures. This investigation enhances comprehension of the MIT mechanism in correlated systems and underscores the roles of polarons, lattice distortions, and electron correlations in facilitating phase transition processes in strongly-correlated systems. Additionally, the detailed detection of small polarons and plasmons serves as inspiration for the development of new device functionalities. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2312.17419v2-abstract-full').style.display = 'none'; document.getElementById('2312.17419v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 22 January, 2025; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 28 December, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> December 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">Research article</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Applied Physics Reviews. 12, 011403 (2025) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2312.08729">arXiv:2312.08729</a> <span> [<a href="https://arxiv.org/pdf/2312.08729">pdf</a>, <a href="https://arxiv.org/format/2312.08729">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1088/0256-307X/40/12/127101">10.1088/0256-307X/40/12/127101 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> VASP2KP: kp models and Lande g-factors from ab initio calculations </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+S">Sheng Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sheng%2C+H">Haohao Sheng</a>, <a href="/search/cond-mat?searchtype=author&query=Song%2C+Z">Zhi-Da Song</a>, <a href="/search/cond-mat?searchtype=author&query=Liang%2C+C">Chenhao Liang</a>, <a href="/search/cond-mat?searchtype=author&query=Jiang%2C+Y">Yi Jiang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Song Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+Q">Quansheng Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Weng%2C+H">Hongming Weng</a>, <a href="/search/cond-mat?searchtype=author&query=Fang%2C+Z">Zhong Fang</a>, <a href="/search/cond-mat?searchtype=author&query=Dai%2C+X">Xi Dai</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+Z">Zhijun Wang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2312.08729v1-abstract-short" style="display: inline;"> The $k\cdot p$ method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zeeman's coupling Hamiltonian with Land茅 $ g $-factors. Here, we develop an open-source package VASP2KP (including two parts: vasp2mat and mat2kp) to compute $k\cdot p$ parameters and Land茅 $g$-factors directly from the wav… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2312.08729v1-abstract-full').style.display = 'inline'; document.getElementById('2312.08729v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2312.08729v1-abstract-full" style="display: none;"> The $k\cdot p$ method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zeeman's coupling Hamiltonian with Land茅 $ g $-factors. Here, we develop an open-source package VASP2KP (including two parts: vasp2mat and mat2kp) to compute $k\cdot p$ parameters and Land茅 $g$-factors directly from the wavefunctions provided by the density functional theory (DFT) as implemented in Vienna ab initio Simulation Package (VASP). First, we develop a VASP patch vasp2mat to compute matrix representations of the generalized momentum operator $ \mathbf{\hat蟺}=\mathbf{\hat{p}}+\frac{1}{2mc^2}\left(\mathbf{\hat{s}}\times\nabla V(\mathbf{r})\right) $, spin operator $\mathbf{\hat{s}}$, time reversal operator $\hat{T}$ and crystalline symmetry operators $\hat{R}$ on the DFT wavefunctions. Second, we develop a python code mat2kp to obtain the unitary transformation $U$ that rotates the degenerate DFT basis towards the standard basis, and then automatically compute the $k\cdot p$ parameters and $g$-factors. The theory and the methodology behind VASP2KP are described in detail. The matrix elements of the operators are derived comprehensively and computed correctly within the projector augmented wave method. We apply this package to some materials, e.g., Bi$_2$Se$_3$, Na$_3$Bi, Te, InAs and 1H-TMD monolayers. The obtained effective model's dispersions are in good agreement with the DFT data around the specific wave vector, and the $g$-factors are consistent with experimental data. The VASP2KP package is available at https://github.com/zjwang11/VASP2KP. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2312.08729v1-abstract-full').style.display = 'none'; document.getElementById('2312.08729v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 14 December, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> December 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Chin. Phys. Lett. 40, 127101 (2023) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2311.07046">arXiv:2311.07046</a> <span> [<a href="https://arxiv.org/pdf/2311.07046">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> A holistic review on fatigue properties of additively manufactured metals </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Yi%2C+M">Min Yi</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+W">Wei Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhu%2C+Y">Yiqi Zhu</a>, <a href="/search/cond-mat?searchtype=author&query=Liang%2C+C">Chenguang Liang</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+Z">Ziming Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Yin%2C+Y">Yan Yin</a>, <a href="/search/cond-mat?searchtype=author&query=He%2C+W">Weiwei He</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shen Sun</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2311.07046v1-abstract-short" style="display: inline;"> Additive manufacturing (AM) technology is undergoing rapid development and emerging as an advanced technique that can fabricate complex near-net shaped and light-weight metallic parts with acceptable strength and fatigue performance. A number of studies have indicated that the strength or other mechanical properties of AM metals are comparable or even superior to that of conventionally manufacture… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2311.07046v1-abstract-full').style.display = 'inline'; document.getElementById('2311.07046v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2311.07046v1-abstract-full" style="display: none;"> Additive manufacturing (AM) technology is undergoing rapid development and emerging as an advanced technique that can fabricate complex near-net shaped and light-weight metallic parts with acceptable strength and fatigue performance. A number of studies have indicated that the strength or other mechanical properties of AM metals are comparable or even superior to that of conventionally manufactured metals, but the fatigue performance is still a thorny problem that may hinder the replacement of currently used metallic components by AM counterparts when the cyclic loading and thus fatigue failure dominates. This article reviews the state-of-art published data on the fatigue properties of AM metals, principally including $S$--$N$ data and fatigue crack growth data. The AM techniques utilized to generate samples in this review include powder bed fusion (e.g., EBM, SLM, DMLS) and directed energy deposition (e.g., LENS, WAAM). Further, the fatigue properties of AM metallic materials that involve titanium alloys, aluminum alloys, stainless steel, nickel-based alloys, magnesium alloys, and high entropy alloys, are systematically overviewed. In addition, summary figures or tables for the published data on fatigue properties are presented for the above metals, the AM techniques, and the influencing factors (manufacturing parameters, e.g., built orientation, processing parameter, and post-processing). The effects of build direction, particle, geometry, manufacturing parameters, post-processing, and heat-treatment on fatigue properties, when available, are provided and discussed. The fatigue performance and main factors affecting the fatigue behavior of AM metals are finally compared and critically analyzed, thus potentially providing valuable guidance for improving the fatigue performance of AM metals. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2311.07046v1-abstract-full').style.display = 'none'; document.getElementById('2311.07046v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 7 October, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">201 pages, 154 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2309.14927">arXiv:2309.14927</a> <span> [<a href="https://arxiv.org/pdf/2309.14927">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Chemical Physics">physics.chem-ph</span> </div> </div> <p class="title is-5 mathjax"> Microstructure and structural modulation of lutetium dihydride LuH2 as seen via transmission electron microscopy </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Ma%2C+X">Xiao-Ping Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+N">Ning-Ning Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+W">Wen-Tao Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Nie%2C+J">Jing-Zhe Nie</a>, <a href="/search/cond-mat?searchtype=author&query=Gao%2C+W">Wen-Li Gao</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuai-Shuai Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+J">Jun Li</a>, <a href="/search/cond-mat?searchtype=author&query=Tian%2C+H">Huan-Fang Tian</a>, <a href="/search/cond-mat?searchtype=author&query=Xia%2C+T">Tian-Long Xia</a>, <a href="/search/cond-mat?searchtype=author&query=Cheng%2C+J">Jin-Guang Cheng</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+J">Jian-Qi Li</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+H">Huai-Xin Yang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2309.14927v1-abstract-short" style="display: inline;"> Structural investigations conducted using transmission electron microscopy (TEM) on LuH2 synthesized under atmospheric pressure (AP-LuH2) and nitrogen-doped LuH2 synthesized under high pressure (HP-LuH2) have revealed numerous microstructural phenomena. Both materials show a clear superstructure modulation with wave vector, q^* = 1/4 (2-20), and this modulation can be well interpreted by the displ… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2309.14927v1-abstract-full').style.display = 'inline'; document.getElementById('2309.14927v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2309.14927v1-abstract-full" style="display: none;"> Structural investigations conducted using transmission electron microscopy (TEM) on LuH2 synthesized under atmospheric pressure (AP-LuH2) and nitrogen-doped LuH2 synthesized under high pressure (HP-LuH2) have revealed numerous microstructural phenomena. Both materials show a clear superstructure modulation with wave vector, q^* = 1/4 (2-20), and this modulation can be well interpreted by the displacements of Lu atoms. Further investigations on the nitrogen-doped HP-LuH2 materials reveal the appearance of high-density antiphase boundaries, in particular, domain walls of a few atomic layer thickness without structural modulation can be observed, suggesting possible interface properties could be detected in this system. In-situ TEM observations of AP-LuH2 suggest that no evident structural phase transition occurs between 94 K and 673 K. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2309.14927v1-abstract-full').style.display = 'none'; document.getElementById('2309.14927v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 26 September, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> September 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">8 pages, 7 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2308.15138">arXiv:2308.15138</a> <span> [<a href="https://arxiv.org/pdf/2308.15138">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> </div> <p class="title is-5 mathjax"> Unraveling the Complexity of Metal Ion Dissolution: Insights from Hybrid First-Principles/Continuum Calculations </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Liu%2C+M">Mingqing Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+T">Tong-Yi Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sheng Sun</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2308.15138v1-abstract-short" style="display: inline;"> The study of ion dissolution from metal surfaces has a long-standing history, wherein the gradual dissolution of solute atoms with increasing electrode potential, leading to their existence as ions in the electrolyte with integer charges, is well-known. However, our present work reveals a more intricate and nuanced physical perspective based on comprehensive first-principles/continuum calculations… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.15138v1-abstract-full').style.display = 'inline'; document.getElementById('2308.15138v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2308.15138v1-abstract-full" style="display: none;"> The study of ion dissolution from metal surfaces has a long-standing history, wherein the gradual dissolution of solute atoms with increasing electrode potential, leading to their existence as ions in the electrolyte with integer charges, is well-known. However, our present work reveals a more intricate and nuanced physical perspective based on comprehensive first-principles/continuum calculations. We investigate the dissolution and deposition processes of 22 metal elements across a range of applied electrode potentials, unveiling diverse dissolution models. By analyzing the energy profiles and valence states of solute atoms as a function of the distance between the solute atom and metal surface, we identify three distinct dissolution models for different metals. Firstly, solute atoms exhibit an integer valence state following an integer-valence jump, aligning with classical understandings. Secondly, solute atoms attain an eventual integer valence, yet their valence state increases in a non-integer manner during dissolution. Lastly, we observe solute atoms exhibiting a non-integer valence state, challenging classical understandings. Furthermore, we propose a theoretical criterion for determining the selection of ion valence during electrode dissolution under applied potential. These findings not only contribute to a deeper understanding of the dissolution process but also offer valuable insights into the complex dynamics governing metal ion dissolution at the atomic level. Such knowledge has the potential to advance the design of more efficient electrochemical systems and open new avenues for controlling dissolution processes in various applications. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.15138v1-abstract-full').style.display = 'none'; document.getElementById('2308.15138v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 August, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> August 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">still dont have</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2308.05454">arXiv:2308.05454</a> <span> [<a href="https://arxiv.org/pdf/2308.05454">pdf</a>, <a href="https://arxiv.org/format/2308.05454">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Computational Physics">physics.comp-ph</span> </div> </div> <p class="title is-5 mathjax"> Finite-temperature ductility-brittleness and electronic structures of Al$_{n}$Sc (n=1, 2 and 3) </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Wang%2C+X">Xue-Qian Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhao%2C+Y">Ying Zhao</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+H">Hao-Xuan Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuchen Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+H">Hongbo Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhong%2C+J">Jiamin Zhong</a>, <a href="/search/cond-mat?searchtype=author&query=Tu%2C+G">Ganfeng Tu</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+S">Song Li</a>, <a href="/search/cond-mat?searchtype=author&query=Yan%2C+H">Hai-Le Yan</a>, <a href="/search/cond-mat?searchtype=author&query=Zuo%2C+L">Liang Zuo</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2308.05454v1-abstract-short" style="display: inline;"> Finite-temperature ductility-brittleness and electronic structures of Al$_3$Sc, Al$_2$Sc and AlSc are studied comparatively by first-principles calculations and ab-initio molecular dynamics. Results show that Al$_3$Sc and Al$_2$Sc are inherently brittle at both ground state and finite temperatures. By contrast, AlSc possesses a significantly superior ductility evaluated from all Pugh's, Pettifor's… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.05454v1-abstract-full').style.display = 'inline'; document.getElementById('2308.05454v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2308.05454v1-abstract-full" style="display: none;"> Finite-temperature ductility-brittleness and electronic structures of Al$_3$Sc, Al$_2$Sc and AlSc are studied comparatively by first-principles calculations and ab-initio molecular dynamics. Results show that Al$_3$Sc and Al$_2$Sc are inherently brittle at both ground state and finite temperatures. By contrast, AlSc possesses a significantly superior ductility evaluated from all Pugh's, Pettifor's and Poisson's ductility-brittleness criteria. At ground state, AlSc meets the criteria of ductile according to Pugh's and Poisson's theories, while it is categorized as the brittle in the frame of Pettifor's picture. With the increasing temperature, the ductility of all the studied compounds exhibits a noticeable improvement. In particular, as the temperature rises, the Cauchy pressure of AlSc undergoes a transition from negative to positive. Thus, at high temperatures (T > 600 K), AlSc is unequivocally classified as the ductile from all criteria considered. In all Al$_3$Sc, Al$_2$Sc and AlSc, the Al-Al bond, originated from s-p and p-p orbital hybridizations, and the Al-Sc bond, dominated by p-d covalent hybridization, are the first and second strongest chemical bonds, respectively. To explain the difference in mechanical properties of the studied compounds, the mean bond strength (MBS) is evaluated. The weaker Al-Al bond in AlSc, leading to a smaller MBS, could be the origin for the softer elastic stiffness and superior intrinsic ductility. The longer length of the Al-Al bond in AlSc is responsible for its weaker bond strength. Furthermore, the enhanced metallicity of the Al-Al bond in AlSc would also contribute to its exceptional ductility. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.05454v1-abstract-full').style.display = 'none'; document.getElementById('2308.05454v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 10 August, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> August 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">14 pages, 10 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2308.05116">arXiv:2308.05116</a> <span> [<a href="https://arxiv.org/pdf/2308.05116">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Chemical Physics">physics.chem-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Geophysics">physics.geo-ph</span> </div> </div> <p class="title is-5 mathjax"> Absorption of Carbon Dioxide in Kerogen Nanopores: A Mechanism Study using the Molecular Dynamics Monte Carlo Method </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Liu%2C+J">Jie Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+T">Tao Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuyu Sun</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2308.05116v1-abstract-short" style="display: inline;"> Carbon capture and storage (CCS) technology has been applied successfully in recent decades to reduce carbon emissions and alleviate global warming. In this regard, shale reservoirs present tremendous potential for carbon dioxide (CO2) sequestration as they have a large number of nanopores. Molecular dynamics (MD) and MD-Monte Carlo (MDMC) methods were employed in this work to study the absorption… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.05116v1-abstract-full').style.display = 'inline'; document.getElementById('2308.05116v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2308.05116v1-abstract-full" style="display: none;"> Carbon capture and storage (CCS) technology has been applied successfully in recent decades to reduce carbon emissions and alleviate global warming. In this regard, shale reservoirs present tremendous potential for carbon dioxide (CO2) sequestration as they have a large number of nanopores. Molecular dynamics (MD) and MD-Monte Carlo (MDMC) methods were employed in this work to study the absorption behavior of CO2 in shale organic porous media. The MDMC method is used to analyze the spatial states of CO2, and the results are in good agreement with MD results, and it also performs well in the acceleration compared to the classical MD. With regard to the kerogen matrix, its properties, such as the pore size distribution (PSD), pore volume, and surface area, are determined to describe its different compression states and the effects of CO2 absorption on it. The potential energy distribution and potential of mean force are analyzed to verify the spatial distribution of CO2 molecules. The heterogeneity of the pore structure resulted in heterogeneous distributions of CO2 molecules in kerogen porous media. Moreover, strong compression of the matrix reduces the number of large pores, and the PSD is mainly between 0 and 15 Angstrom. Despite the high interaction force of the kerogen matrix, the high-potential-energy region induced by the kerogen skeleton also contributes to the formation of low-energy regions that encourage the entry of CO2. An increase in temperature facilitates the absorption process, allowing CO2 molecules to enter the isolated pores with stronger thermal motion, thereby increasing the storage capacity for CO2. However, the development of geothermal energy may not be suitable for CO2 sequestration. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.05116v1-abstract-full').style.display = 'none'; document.getElementById('2308.05116v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 8 August, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> August 2023. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2308.01959">arXiv:2308.01959</a> <span> [<a href="https://arxiv.org/pdf/2308.01959">pdf</a>, <a href="https://arxiv.org/format/2308.01959">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Disordered Systems and Neural Networks">cond-mat.dis-nn</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Statistical Mechanics">cond-mat.stat-mech</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Strongly Correlated Electrons">cond-mat.str-el</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevB.108.174436">10.1103/PhysRevB.108.174436 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Quasispins of vacancy defects in Ising chains with nearest- and next-to-nearest-neighbour interactions </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shijun Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Ramirez%2C+A+P">Arthur P. Ramirez</a>, <a href="/search/cond-mat?searchtype=author&query=Syzranov%2C+S">Sergey Syzranov</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2308.01959v2-abstract-short" style="display: inline;"> Motivated by frustrated magnets and quasi-one-dimensional magnetic materials, we study the magnetic properties of 1D Ising chains with nearest-neighbour (NN) and weaker next-to-nearest neighbour (NNN) interactions in the presence of vacancy defects. The effect of a vacancy on the magnetic susceptibility of a spin chain is two-fold: it reduces the length of the chain by an effective ``vacancy size'… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.01959v2-abstract-full').style.display = 'inline'; document.getElementById('2308.01959v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2308.01959v2-abstract-full" style="display: none;"> Motivated by frustrated magnets and quasi-one-dimensional magnetic materials, we study the magnetic properties of 1D Ising chains with nearest-neighbour (NN) and weaker next-to-nearest neighbour (NNN) interactions in the presence of vacancy defects. The effect of a vacancy on the magnetic susceptibility of a spin chain is two-fold: it reduces the length of the chain by an effective ``vacancy size'' and may also act as a free spin, a ``quasispin'', with a Curie-type $蠂_\text{quasi}=\langle S^2\rangle/T$ contribution to the susceptibility. In chains with antiferromagnetic short-range order, the susceptibility of vacancy-free chains is exponentially suppressed at low temperatures, and quasispins dominate the effect of impurities on the chains' magnetic properties. For chains with antiferromagnetic NN interactions, the quasispin matches the value $\langle S^2\rangle=1$ of the Ising spins in the chain for ferromagnetic NNN interactions and vanishes for antiferromagnetic NNN interactions. For chains with ferromagnetic short-range order, quasispin effects are insignificant due to exponentially large low-temperature susceptibilities, and the dominant effect of a vacancy is effectively changing the length of the chain. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2308.01959v2-abstract-full').style.display = 'none'; document.getElementById('2308.01959v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 3 October, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 3 August, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> August 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">4+7 pages, 1+4 figures, 1 table</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. B 108, 174436 (2023) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2305.17734">arXiv:2305.17734</a> <span> [<a href="https://arxiv.org/pdf/2305.17734">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Robotics">cs.RO</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Soft Condensed Matter">cond-mat.soft</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1016/j.jmmm.2023.171160">10.1016/j.jmmm.2023.171160 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Design, Actuation, and Functionalization of Untethered Soft Magnetic Robots with Life-Like Motions: A Review </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Miao%2C+J">Jiaqi Miao</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Siqi Sun</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2305.17734v4-abstract-short" style="display: inline;"> Soft robots have demonstrated superior flexibility and functionality than conventional rigid robots. These versatile devices can respond to a wide range of external stimuli (including light, magnetic field, heat, electric field, etc.), and can perform sophisticated tasks. Notably, soft magnetic robots exhibit unparalleled advantages over numerous soft robots (such as untethered control, rapid resp… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2305.17734v4-abstract-full').style.display = 'inline'; document.getElementById('2305.17734v4-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2305.17734v4-abstract-full" style="display: none;"> Soft robots have demonstrated superior flexibility and functionality than conventional rigid robots. These versatile devices can respond to a wide range of external stimuli (including light, magnetic field, heat, electric field, etc.), and can perform sophisticated tasks. Notably, soft magnetic robots exhibit unparalleled advantages over numerous soft robots (such as untethered control, rapid response, and high safety), and have made remarkable progress in small-scale manipulation tasks and biomedical applications. Despite the promising potential, soft magnetic robots are still in their infancy and require significant advancements in terms of fabrication, design principles, and functional development to be viable for real-world applications. Recent progress shows that bionics can serve as an effective tool for developing soft robots. In light of this, the review is presented with two main goals: (i) exploring how innovative bioinspired strategies can revolutionize the design and actuation of soft magnetic robots to realize various life-like motions; (ii) examining how these bionic systems could benefit practical applications in small-scale solid/liquid manipulation and therapeutic/diagnostic-related biomedical fields. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2305.17734v4-abstract-full').style.display = 'none'; document.getElementById('2305.17734v4-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 21 January, 2024; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 28 May, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> May 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">36 pages, 11 figures</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> J. Magn. Magn. Mater. 586, 171160 (2023) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2304.11120">arXiv:2304.11120</a> <span> [<a href="https://arxiv.org/pdf/2304.11120">pdf</a>, <a href="https://arxiv.org/format/2304.11120">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> What is missing in autonomous discovery: Open challenges for the community </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Maffettone%2C+P+M">Phillip M. Maffettone</a>, <a href="/search/cond-mat?searchtype=author&query=Friederich%2C+P">Pascal Friederich</a>, <a href="/search/cond-mat?searchtype=author&query=Baird%2C+S+G">Sterling G. Baird</a>, <a href="/search/cond-mat?searchtype=author&query=Blaiszik%2C+B">Ben Blaiszik</a>, <a href="/search/cond-mat?searchtype=author&query=Brown%2C+K+A">Keith A. Brown</a>, <a href="/search/cond-mat?searchtype=author&query=Campbell%2C+S+I">Stuart I. Campbell</a>, <a href="/search/cond-mat?searchtype=author&query=Cohen%2C+O+A">Orion A. Cohen</a>, <a href="/search/cond-mat?searchtype=author&query=Collins%2C+T">Tantum Collins</a>, <a href="/search/cond-mat?searchtype=author&query=Davis%2C+R+L">Rebecca L. Davis</a>, <a href="/search/cond-mat?searchtype=author&query=Foster%2C+I+T">Ian T. Foster</a>, <a href="/search/cond-mat?searchtype=author&query=Haghmoradi%2C+N">Navid Haghmoradi</a>, <a href="/search/cond-mat?searchtype=author&query=Hereld%2C+M">Mark Hereld</a>, <a href="/search/cond-mat?searchtype=author&query=Jung%2C+N">Nicole Jung</a>, <a href="/search/cond-mat?searchtype=author&query=Kwon%2C+H">Ha-Kyung Kwon</a>, <a href="/search/cond-mat?searchtype=author&query=Pizzuto%2C+G">Gabriella Pizzuto</a>, <a href="/search/cond-mat?searchtype=author&query=Rintamaki%2C+J">Jacob Rintamaki</a>, <a href="/search/cond-mat?searchtype=author&query=Steinmann%2C+C">Casper Steinmann</a>, <a href="/search/cond-mat?searchtype=author&query=Torresi%2C+L">Luca Torresi</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shijing Sun</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2304.11120v2-abstract-short" style="display: inline;"> Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich community of passionate scientists, engineers, and social scientists, as evidenced by the development of the Acceleration Consortium and recent Accelerate Conference. Despite its strengths, this rapidly… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2304.11120v2-abstract-full').style.display = 'inline'; document.getElementById('2304.11120v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2304.11120v2-abstract-full" style="display: none;"> Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has given rise to a rich community of passionate scientists, engineers, and social scientists, as evidenced by the development of the Acceleration Consortium and recent Accelerate Conference. Despite its strengths, this rapidly developing field presents numerous opportunities for growth, challenges to overcome, and potential risks of which to remain aware. This community perspective builds on a discourse instantiated during the first Accelerate Conference, and looks to the future of self-driving labs with a tempered optimism. Incorporating input from academia, government, and industry, we briefly describe the current status of self-driving labs, then turn our attention to barriers, opportunities, and a vision for what is possible. Our field is delivering solutions in technology and infrastructure, artificial intelligence and knowledge generation, and education and workforce development. In the spirit of community, we intend for this work to foster discussion and drive best practices as our field grows. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2304.11120v2-abstract-full').style.display = 'none'; document.getElementById('2304.11120v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 2 May, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 21 April, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> April 2023. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2303.09636">arXiv:2303.09636</a> <span> [<a href="https://arxiv.org/pdf/2303.09636">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Chemical Physics">physics.chem-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Quantum Physics">quant-ph</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1021/acsnano.3c01819">10.1021/acsnano.3c01819 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Nitrogen-vacancy magnetometry of individual Fe-triazole spin crossover nanorods </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Lamichhane%2C+S">Suvechhya Lamichhane</a>, <a href="/search/cond-mat?searchtype=author&query=McElveen%2C+K+A">Kayleigh A McElveen</a>, <a href="/search/cond-mat?searchtype=author&query=Erickson%2C+A">Adam Erickson</a>, <a href="/search/cond-mat?searchtype=author&query=Fescenko%2C+I">Ilja Fescenko</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shuo Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Timalsina%2C+R">Rupak Timalsina</a>, <a href="/search/cond-mat?searchtype=author&query=Guo%2C+Y">Yinsheng Guo</a>, <a href="/search/cond-mat?searchtype=author&query=Liou%2C+S">Sy-Hwang Liou</a>, <a href="/search/cond-mat?searchtype=author&query=Lai%2C+R+Y">Rebecca Y. Lai</a>, <a href="/search/cond-mat?searchtype=author&query=Laraoui%2C+A">Abdelghani Laraoui</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2303.09636v4-abstract-short" style="display: inline;"> [Fe(Htrz)2(trz)](BF4) (Fe-triazole) spin crossover molecules show thermal, electrical, and optical switching between high spin (HS) and low spin (LS) states, making them promising candidates for molecular spintronics. The LS and HS transitions originate from the electronic configurations of Fe(II), and are considered to be diamagnetic and paramagnetic respectively. The Fe(II) LS state has six pair… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2303.09636v4-abstract-full').style.display = 'inline'; document.getElementById('2303.09636v4-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2303.09636v4-abstract-full" style="display: none;"> [Fe(Htrz)2(trz)](BF4) (Fe-triazole) spin crossover molecules show thermal, electrical, and optical switching between high spin (HS) and low spin (LS) states, making them promising candidates for molecular spintronics. The LS and HS transitions originate from the electronic configurations of Fe(II), and are considered to be diamagnetic and paramagnetic respectively. The Fe(II) LS state has six paired electrons in the ground states with no interaction with the magnetic field and a diamagnetic behavior is usually observed. While the bulk magnetic properties of Fe-triazole compounds are widely studied by standard magnetometry techniques their properties at the individual level are missing. Here we use nitrogen vacancy (NV) based magnetometry to study the magnetic properties of the Fe-triazole LS state of nanoparticle clusters and individual nanorods of size varying from 20 to 1000 nm. Scanning electron microscopy (SEM) and Raman spectroscopy are performed to determine the size of the nanoparticles/nanorods and to confirm their respective spin state. The magnetic field patterns produced by the nanoparticles/nanorods are imaged by NV magnetic microscopy as a function of applied magnetic field (up to 350 mT) and correlated with SEM and Raman. We found that in most of the nanorods the LS state is slightly paramagnetic, possibly originating from the surface oxidation and/or the greater Fe(III) presence along the nanorod edges. NV measurements on the Fe-triazole LS state nanoparticle clusters revealed both diamagnetic and paramagnetic behavior. Our results highlight the potential of NV quantum sensors to study the magnetic properties of spin crossover molecules and molecular magnets. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2303.09636v4-abstract-full').style.display = 'none'; document.getElementById('2303.09636v4-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 5 June, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 16 March, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> March 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> ACS Nano 2023 </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2303.09493">arXiv:2303.09493</a> <span> [<a href="https://arxiv.org/pdf/2303.09493">pdf</a>, <a href="https://arxiv.org/format/2303.09493">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Soft Condensed Matter">cond-mat.soft</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Applied Physics">physics.app-ph</span> </div> </div> <p class="title is-5 mathjax"> Anomalous crystalline ordering of particles in a viscoelastic fluid under high shear </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sijie Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Xue%2C+N">Nan Xue</a>, <a href="/search/cond-mat?searchtype=author&query=Aime%2C+S">Stefano Aime</a>, <a href="/search/cond-mat?searchtype=author&query=Kim%2C+H">Hyoungsoo Kim</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+J">Jizhou Tang</a>, <a href="/search/cond-mat?searchtype=author&query=McKinley%2C+G+H">Gareth H. McKinley</a>, <a href="/search/cond-mat?searchtype=author&query=Stone%2C+H+A">Howard A. Stone</a>, <a href="/search/cond-mat?searchtype=author&query=Weitz%2C+D+A">David A. Weitz</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2303.09493v3-abstract-short" style="display: inline;"> Addition of particles to a viscoelastic suspension dramatically alters the properties of the mixture, particularly when it is sheared or otherwise processed. Shear-induced stretching of the polymers results in elastic stress that causes a substantial increase in measured viscosity with increasing shear, and an attractive interaction between particles, leading to their chaining. At even higher shea… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2303.09493v3-abstract-full').style.display = 'inline'; document.getElementById('2303.09493v3-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2303.09493v3-abstract-full" style="display: none;"> Addition of particles to a viscoelastic suspension dramatically alters the properties of the mixture, particularly when it is sheared or otherwise processed. Shear-induced stretching of the polymers results in elastic stress that causes a substantial increase in measured viscosity with increasing shear, and an attractive interaction between particles, leading to their chaining. At even higher shear rates, the flow becomes unstable, even in the absence of particles. This instability makes it very difficult to determine the properties of a particle suspension. Here we use a fully immersed parallel plate geometry to measure the high-shear-rate behavior of a suspension of particles in a viscoelastic fluid. We find an unexpected separation of the particles within the suspension resulting in the formation of a layer of particles in the center of the cell. Remarkably, monodisperse particles form a crystalline layer which dramatically alters the shear instability. By combining measurements of the velocity field and torque fluctuations, we show that this solid layer disrupts the flow instability and introduces a new, single-frequency component to the torque fluctuations that reflects a dominant velocity pattern in the flow. These results highlight the interplay between particles and a suspending viscoelastic fluid at very high shear rates. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2303.09493v3-abstract-full').style.display = 'none'; document.getElementById('2303.09493v3-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 26 June, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 16 March, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> March 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">SI Videos and future data sharing are available at https://doi.org/10.7910/DVN/K0XZ6N</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2302.12833">arXiv:2302.12833</a> <span> [<a href="https://arxiv.org/pdf/2302.12833">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Image and Video Processing">eess.IV</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Artificial Intelligence">cs.AI</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Computer Vision and Pattern Recognition">cs.CV</span> </div> </div> <p class="title is-5 mathjax"> An Efficient Instance Segmentation Approach for Extracting Fission Gas Bubbles on U-10Zr Annular Fuel </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shoukun Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Xu%2C+F">Fei Xu</a>, <a href="/search/cond-mat?searchtype=author&query=Cai%2C+L">Lu Cai</a>, <a href="/search/cond-mat?searchtype=author&query=Salvato%2C+D">Daniele Salvato</a>, <a href="/search/cond-mat?searchtype=author&query=Dilemma%2C+F">Fidelma Dilemma</a>, <a href="/search/cond-mat?searchtype=author&query=Capriotti%2C+L">Luca Capriotti</a>, <a href="/search/cond-mat?searchtype=author&query=Xian%2C+M">Min Xian</a>, <a href="/search/cond-mat?searchtype=author&query=Yao%2C+T">Tiankai Yao</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2302.12833v1-abstract-short" style="display: inline;"> U-10Zr-based nuclear fuel is pursued as a primary candidate for next-generation sodium-cooled fast reactors. However, more advanced characterization and analysis are needed to form a fundamental understating of the fuel performance, and make U-10Zr fuel qualify for commercial use. The movement of lanthanides across the fuel section from the hot fuel center to the cool cladding surface is one of th… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2302.12833v1-abstract-full').style.display = 'inline'; document.getElementById('2302.12833v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2302.12833v1-abstract-full" style="display: none;"> U-10Zr-based nuclear fuel is pursued as a primary candidate for next-generation sodium-cooled fast reactors. However, more advanced characterization and analysis are needed to form a fundamental understating of the fuel performance, and make U-10Zr fuel qualify for commercial use. The movement of lanthanides across the fuel section from the hot fuel center to the cool cladding surface is one of the key factors to affect fuel performance. In the advanced annular U-10Zr fuel, the lanthanides present as fission gas bubbles. Due to a lack of annotated data, existing literature utilized a multiple-threshold method to separate the bubbles and calculate bubble statistics on an annular fuel. However, the multiple-threshold method cannot achieve robust performance on images with different qualities and contrasts, and cannot distinguish different bubbles. This paper proposes a hybrid framework for efficient bubble segmentation. We develop a bubble annotation tool and generate the first fission gas bubble dataset with more than 3000 bubbles from 24 images. A multi-task deep learning network integrating U-Net and ResNet is designed to accomplish instance-level bubble segmentation. Combining the segmentation results and image processing step achieves the best recall ratio of more than 90% with very limited annotated data. Our model shows outstanding improvement by comparing the previously proposed thresholding method. The proposed method has promising to generate a more accurate quantitative analysis of fission gas bubbles on U-10Zr annular fuels. The results will contribute to identifying the bubbles with lanthanides and finally build the relationship between the thermal gradation and lanthanides movements of U-10Zr annular fuels. Mover, the deep learning model is applicable to other similar material micro-structure segmentation tasks. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2302.12833v1-abstract-full').style.display = 'none'; document.getElementById('2302.12833v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 8 February, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> February 2023. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">9 figures, 3 tables</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2302.11134">arXiv:2302.11134</a> <span> [<a href="https://arxiv.org/pdf/2302.11134">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> </div> </div> <p class="title is-5 mathjax"> Anomalous Nernst effect induced terahertz emission in a single ferromagnetic film </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Feng%2C+Z">Zheng Feng</a>, <a href="/search/cond-mat?searchtype=author&query=Tan%2C+W">Wei Tan</a>, <a href="/search/cond-mat?searchtype=author&query=Jin%2C+Z">Zuanming Jin</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+Y">Yi-Jia Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Zhong%2C+Z">Zhangfeng Zhong</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+L">Liang Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Song Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Tang%2C+J">Jin Tang</a>, <a href="/search/cond-mat?searchtype=author&query=Jiang%2C+Y">Yexing Jiang</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+P">Po-Hsun Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Cheng%2C+J">Jun Cheng</a>, <a href="/search/cond-mat?searchtype=author&query=Miao%2C+B">Bingfeng Miao</a>, <a href="/search/cond-mat?searchtype=author&query=Ding%2C+H">Haifeng Ding</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+D">Dacheng Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhu%2C+Y">Yiming Zhu</a>, <a href="/search/cond-mat?searchtype=author&query=Guo%2C+L">Liang Guo</a>, <a href="/search/cond-mat?searchtype=author&query=Shin%2C+S">Sunmi Shin</a>, <a href="/search/cond-mat?searchtype=author&query=Ma%2C+G">Guohong Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Hou%2C+D">Dazhi Hou</a>, <a href="/search/cond-mat?searchtype=author&query=Huang%2C+S">Ssu-Yen Huang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2302.11134v2-abstract-short" style="display: inline;"> By developing a bidirectional-pump terahertz (THz) emission spectroscopy, we reveal an anomalous Nernst effect (ANE) induced THz emission in a single ferromagnetic film. Based on the distinctive symmetry of the THz signals, ANE is unequivocally distinguished from the previously attributed ultrafast demagnetization and anomalous Hall effect mechanisms. A quantitative method is established to separa… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2302.11134v2-abstract-full').style.display = 'inline'; document.getElementById('2302.11134v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2302.11134v2-abstract-full" style="display: none;"> By developing a bidirectional-pump terahertz (THz) emission spectroscopy, we reveal an anomalous Nernst effect (ANE) induced THz emission in a single ferromagnetic film. Based on the distinctive symmetry of the THz signals, ANE is unequivocally distinguished from the previously attributed ultrafast demagnetization and anomalous Hall effect mechanisms. A quantitative method is established to separate the different contributions, demonstrating a significant ANE contribution that even overwhelms other competing mechanisms. Our work not only clarifies the origin of the ferromagnetic-based THz emission, but also offers a fertile platform for investigating the ultrafast magnetism and THz spintronics. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2302.11134v2-abstract-full').style.display = 'none'; document.getElementById('2302.11134v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 16 June, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 21 February, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> February 2023. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2301.02974">arXiv:2301.02974</a> <span> [<a href="https://arxiv.org/pdf/2301.02974">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Spin glass behavior in amorphous Cr2Ge2Te6 phase-change alloy </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Wang%2C+X">Xiaozhe Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Suyang Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+J">Jiang-Jing Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+S">Shuang Li</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+J">Jian Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Aktas%2C+O">Oktay Aktas</a>, <a href="/search/cond-mat?searchtype=author&query=Xu%2C+M">Ming Xu</a>, <a href="/search/cond-mat?searchtype=author&query=Deringer%2C+V+L">Volker L. Deringer</a>, <a href="/search/cond-mat?searchtype=author&query=Mazzarello%2C+R">Riccardo Mazzarello</a>, <a href="/search/cond-mat?searchtype=author&query=Ma%2C+E">En Ma</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+W">Wei Zhang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2301.02974v2-abstract-short" style="display: inline;"> The layered crystal structure of Cr2Ge2Te6 shows ferromagnetic ordering at the two-dimensional limit, which holds promise for spintronic applications. However, external voltage pulses can trigger amorphization of the material in nanoscale electronic devices, and it is unclear whether the loss of structural ordering leads to a change in magnetic properties. Here, we demonstrate that Cr2Ge2Te6 prese… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2301.02974v2-abstract-full').style.display = 'inline'; document.getElementById('2301.02974v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2301.02974v2-abstract-full" style="display: none;"> The layered crystal structure of Cr2Ge2Te6 shows ferromagnetic ordering at the two-dimensional limit, which holds promise for spintronic applications. However, external voltage pulses can trigger amorphization of the material in nanoscale electronic devices, and it is unclear whether the loss of structural ordering leads to a change in magnetic properties. Here, we demonstrate that Cr2Ge2Te6 preserves the spin-polarized nature in the amorphous phase, but undergoes a magnetic transition to a spin glass state below 20 K. Quantum-mechanical computations reveal the microscopic origin of this transition in spin configuration: it is due to strong distortions of the Cr-Te-Cr bonds, connecting chromium-centered octahedra, and to the overall increase in disorder upon amorphization. The tunable magnetic properties of Cr2Ge2Te6 could be exploited for multifunctional, magnetic phase-change devices that switch between crystalline and amorphous states. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2301.02974v2-abstract-full').style.display = 'none'; document.getElementById('2301.02974v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 2 June, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 7 January, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> January 2023. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2212.13451">arXiv:2212.13451</a> <span> [<a href="https://arxiv.org/pdf/2212.13451">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Compositionally Complex Perovskite Oxides as a New Class of Li-Ion Solid Electrolytes </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Ko%2C+S">Shu-Ting Ko</a>, <a href="/search/cond-mat?searchtype=author&query=Lee%2C+T">Tom Lee</a>, <a href="/search/cond-mat?searchtype=author&query=Qi%2C+J">Ji Qi</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+D">Dawei Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Peng%2C+W">Wei-Tao Peng</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+X">Xin Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Tsai%2C+W">Wei-Che Tsai</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shikai Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+Z">Zhaokun Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Bowman%2C+W+J">William J. Bowman</a>, <a href="/search/cond-mat?searchtype=author&query=Ong%2C+S+P">Shyue Ping Ong</a>, <a href="/search/cond-mat?searchtype=author&query=Pan%2C+X">Xiaoqing Pan</a>, <a href="/search/cond-mat?searchtype=author&query=Luo%2C+J">Jian Luo</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2212.13451v1-abstract-short" style="display: inline;"> Compositionally complex ceramics (CCCs), including high-entropy ceramics (HECs) as a subclass, offer new opportunities of materials discovery beyond the traditional methodology of searching new stoichiometric compounds. Herein, we establish new strategies of tailoring CCCs via a seamless combination of (1) non-equimolar compositional designs and (2) controlling microstructures and interfaces. Usin… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2212.13451v1-abstract-full').style.display = 'inline'; document.getElementById('2212.13451v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2212.13451v1-abstract-full" style="display: none;"> Compositionally complex ceramics (CCCs), including high-entropy ceramics (HECs) as a subclass, offer new opportunities of materials discovery beyond the traditional methodology of searching new stoichiometric compounds. Herein, we establish new strategies of tailoring CCCs via a seamless combination of (1) non-equimolar compositional designs and (2) controlling microstructures and interfaces. Using oxide solid electrolytes for all-solid-state batteries as an exemplar, we validate these new strategies via discovering a new class of compositionally complex perovskite oxides (CCPOs) to show the possibility of improving ionic conductivities beyond the limit of conventional doping. As an example (amongst the 28 CCPOs examined), we demonstrate that the ionic conductivity can be improved by >60% in (Li0.375Sr0.4375)(Ta0.375Nb0.375Zr0.125Hf0.125)O3-未, in comparison with the state-of-art (Li0.375Sr0.4375)(Ta0.75Zr0.25)O3-未 (LSTZ) baseline, via maintaining comparable electrochemical stability. Furthermore, the ionic conductivity can be improved by another >70% via grain boundary (GB) engineering, achieving >270% of the LSTZ baseline. This work suggests transformative new strategies for designing and tailoring HECs and CCCs, thereby opening a new window for discovering materials for energy storage and many other applications. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2212.13451v1-abstract-full').style.display = 'none'; document.getElementById('2212.13451v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 27 December, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> December 2022. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2211.16690">arXiv:2211.16690</a> <span> [<a href="https://arxiv.org/pdf/2211.16690">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevB.107.195114">10.1103/PhysRevB.107.195114 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Electronic Origin of Half-metal to Semiconductor Transition and Colossal Magnetoresistance in Spinel HgCr2Se4 </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Liang%2C+A">Aiji Liang</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Z">Zhilin Li</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+S">Shihao Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shucui Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+S">Shuai Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+C">Cheng Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+H">Haifeng Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Cui%2C+S">Shengtao Cui</a>, <a href="/search/cond-mat?searchtype=author&query=Mo%2C+S">Sung-Kwan Mo</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+S">Shuai Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+Y">Yongqing Li</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+M">Meixiao Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+L">Lexian Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+J">Jianpeng Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Liu%2C+Z">Zhongkai Liu</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+Y">Yulin Chen</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2211.16690v1-abstract-short" style="display: inline;"> Half-metals are ferromagnets hosting spin-polarized conducting carriers and crucial for spintronics applications. The chromium spinel HgCr2Se4 represents a unique type of half-metal, which features a half-metal to semiconductor transition (HMST) and exhibits colossal magnetoresistance (CMR) across the ferromagnetic-paramagnetic (FM-PM) transition. Using angle-resolved photoemission spectroscopy (A… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2211.16690v1-abstract-full').style.display = 'inline'; document.getElementById('2211.16690v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2211.16690v1-abstract-full" style="display: none;"> Half-metals are ferromagnets hosting spin-polarized conducting carriers and crucial for spintronics applications. The chromium spinel HgCr2Se4 represents a unique type of half-metal, which features a half-metal to semiconductor transition (HMST) and exhibits colossal magnetoresistance (CMR) across the ferromagnetic-paramagnetic (FM-PM) transition. Using angle-resolved photoemission spectroscopy (ARPES), we find that the Fermi surface of n-type HgCr2Se4 (n-HgCr2Se4) consists of a single electron pocket which moves above the Fermi level (EF) upon the FM-PM transition, leading to the HMST. Such a Lifshitz transition manifests a giant band splitting which originates from the exchange interaction unveiled with a specific chemical nonstoichiometry. The exchange band splitting and the chemical nonstoichiometry are two key ingredients to the HMST and CMR, consistent with our ab-initio calculation. Our findings provide spectroscopic evidences of the electronic origin of the anomalous properties of HgCr2Se4, which address the unique phase transition in half-metals. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2211.16690v1-abstract-full').style.display = 'none'; document.getElementById('2211.16690v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 November, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2022. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2211.15972">arXiv:2211.15972</a> <span> [<a href="https://arxiv.org/pdf/2211.15972">pdf</a>, <a href="https://arxiv.org/ps/2211.15972">ps</a>, <a href="https://arxiv.org/format/2211.15972">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> </div> <p class="title is-5 mathjax"> Interlayer ferromagnetism and insulator-metal transition in element-doped CrI3 thin films </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shiyang Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+X">Xuyan Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Li%2C+X">Xuqi Li</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+H">Huihui Zhang</a>, <a href="/search/cond-mat?searchtype=author&query=Sang%2C+H">Haidan Sang</a>, <a href="/search/cond-mat?searchtype=author&query=Qi%2C+S">Shifei Qi</a>, <a href="/search/cond-mat?searchtype=author&query=Qiao%2C+Z">Zhenhua Qiao</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2211.15972v1-abstract-short" style="display: inline;"> The exploration of magnetism in two-dimensional layered materials has attracted extensive research interest. For the monoclinic phase CrI3 with interlayer antiferromagnetism, finding a static and robust way of realizing the intrinsic interlayer ferromagnetic coupling is desirable. In this Letter, we study the electronic structure and magnetic properties of the nonmagnetic element (e.g., O, S, Se,… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2211.15972v1-abstract-full').style.display = 'inline'; document.getElementById('2211.15972v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2211.15972v1-abstract-full" style="display: none;"> The exploration of magnetism in two-dimensional layered materials has attracted extensive research interest. For the monoclinic phase CrI3 with interlayer antiferromagnetism, finding a static and robust way of realizing the intrinsic interlayer ferromagnetic coupling is desirable. In this Letter, we study the electronic structure and magnetic properties of the nonmagnetic element (e.g., O, S, Se, N, P, As and C) doped bi- and triple-layer CrI3 systems via first-principles calculations. Our results demonstrate that O, P, S, As, and Se doped CrI3 bilayer can realize interlayer ferromagnetism. Further analysis shows that the interlayer ferromagnetic coupling in the doped few-layer CrI3 is closely related to the formation of localized spin-polarized state. This finding indicates that insulated interlayer ferromagnetism can be realized at high doping concentration (larger than 8.33%). When the doping concentration is less than 8.33%, but larger than 2.08%, an insulator-metal phase transition can occur since the localized spin-polarized states percolate to form contiguous grids in few-layer CrI3. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2211.15972v1-abstract-full').style.display = 'none'; document.getElementById('2211.15972v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 29 November, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2022. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2206.13543">arXiv:2206.13543</a> <span> [<a href="https://arxiv.org/pdf/2206.13543">pdf</a>, <a href="https://arxiv.org/format/2206.13543">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="High Energy Physics - Phenomenology">hep-ph</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Cosmology and Nongalactic Astrophysics">astro-ph.CO</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="High Energy Physics - Experiment">hep-ex</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Instrumentation and Detectors">physics.ins-det</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevD.107.015019">10.1103/PhysRevD.107.015019 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Resonant Electric Probe to Axionic Dark Matter </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Duan%2C+J">Junxi Duan</a>, <a href="/search/cond-mat?searchtype=author&query=Gao%2C+Y">Yu Gao</a>, <a href="/search/cond-mat?searchtype=author&query=Ji%2C+C">Chang-Yin Ji</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sichun Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Yao%2C+Y">Yugui Yao</a>, <a href="/search/cond-mat?searchtype=author&query=Zhang%2C+Y">Yun-Long Zhang</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2206.13543v3-abstract-short" style="display: inline;"> The oscillating light axion field is known as wave dark matter. We propose an LC-resonance enhanced detection of the narrow band electric signals induced by the axion dark matter using a solenoid magnet facility. We provide full 3D electromagnetic simulation results for the signal electric field. The electric signal is enhanced by the high $Q$-factor of a resonant LC circuit and then amplified and… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2206.13543v3-abstract-full').style.display = 'inline'; document.getElementById('2206.13543v3-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2206.13543v3-abstract-full" style="display: none;"> The oscillating light axion field is known as wave dark matter. We propose an LC-resonance enhanced detection of the narrow band electric signals induced by the axion dark matter using a solenoid magnet facility. We provide full 3D electromagnetic simulation results for the signal electric field. The electric signal is enhanced by the high $Q$-factor of a resonant LC circuit and then amplified and detected by the state-of-the-art cryogenic electrical transport measurement technique. The cryogenic amplifier noise is the dominant noise source in the proposed detection system. We estimate that the detection system can have a promising sensitivity to axion dark matter with mass below $10^{-6}$ eV. The projected sensitivities improve with the size of the magnetic field, and the electric signal measurement can be potentially sensitive to the quantum chromodynamics (QCD) axion with $g_{a纬} \sim 10^{-16}$ GeV$^{-1}$ around $m_a \sim 10^{-8}$eV, with a multi-meter scale magnetized region. This limit is around five orders of magnitude below the current constraint from the cosmic rays. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2206.13543v3-abstract-full').style.display = 'none'; document.getElementById('2206.13543v3-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 1 May, 2023; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 27 June, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> June 2022. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">8 pages, 5 figures. V2 added more comments on the key innovation points and signal discussion. V3 published version typo corrected</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2203.14301">arXiv:2203.14301</a> <span> [<a href="https://arxiv.org/pdf/2203.14301">pdf</a>, <a href="https://arxiv.org/format/2203.14301">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevB.106.L241105">10.1103/PhysRevB.106.L241105 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Quantized and half-quantized Anomalous Hall effect induced by in-plane magnetic field </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Song Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Weng%2C+H">Hongming Weng</a>, <a href="/search/cond-mat?searchtype=author&query=Dai%2C+X">Xi Dai</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2203.14301v1-abstract-short" style="display: inline;"> In this paper we propose that, quantized and nearly half-quantized intrinsic anomalous Hall effect can be induced by in-plane external magnetic field through the Zeeman coupling in non-magnetic 2D systems with sizeable spin-orbital coupling but without two-fold rotational symmetry. An analytical result is derived for 2D electron gas model with $C_{3v}$ symmetry. Based on the… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.14301v1-abstract-full').style.display = 'inline'; document.getElementById('2203.14301v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2203.14301v1-abstract-full" style="display: none;"> In this paper we propose that, quantized and nearly half-quantized intrinsic anomalous Hall effect can be induced by in-plane external magnetic field through the Zeeman coupling in non-magnetic 2D systems with sizeable spin-orbital coupling but without two-fold rotational symmetry. An analytical result is derived for 2D electron gas model with $C_{3v}$ symmetry. Based on the $\boldsymbol{k\cdot p}$ Hamiltonian derived from first principle calculations, we find that quantized and nearly half-quantized conductance can be observed in $\mathrm{Sb_2Te_3}$ thin film in the clean limit with strong in-plane magnetic field $B>20\ \mathrm{T}$ and low temperature $T<100\ \mathrm{mK}$. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.14301v1-abstract-full').style.display = 'none'; document.getElementById('2203.14301v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 27 March, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> March 2022. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">11 pages, 4 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2203.11657">arXiv:2203.11657</a> <span> [<a href="https://arxiv.org/pdf/2203.11657">pdf</a>, <a href="https://arxiv.org/ps/2203.11657">ps</a>, <a href="https://arxiv.org/format/2203.11657">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Quantum Gases">cond-mat.quant-gas</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1016/j.physb.2022.413848">10.1016/j.physb.2022.413848 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Kondo Effect in a Spin-3/2 Fermi Gas </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Xu%2C+B">Bei Xu</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shoufa Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Gu%2C+Q">Qiang Gu</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2203.11657v1-abstract-short" style="display: inline;"> We investigate the Kondo effect of a spin-3/2 Fermi gas and give a detailed calculation of the impurity resistance and ground state energy based on the s-d exchange model. It is found that the impurity resistance increases logarithmically with the decrease of temperature in the case of antiferromagnetic coupling similar to the spin-1/2 system but has a larger resistance minimum value due to the in… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.11657v1-abstract-full').style.display = 'inline'; document.getElementById('2203.11657v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2203.11657v1-abstract-full" style="display: none;"> We investigate the Kondo effect of a spin-3/2 Fermi gas and give a detailed calculation of the impurity resistance and ground state energy based on the s-d exchange model. It is found that the impurity resistance increases logarithmically with the decrease of temperature in the case of antiferromagnetic coupling similar to the spin-1/2 system but has a larger resistance minimum value due to the increase of spin scattering channels. In the case of antiferromagnetic interaction, the ground state is still the Kondo singlet state while the septuplet state has the lowest energy for ferromagnetic coupling. And with the same antiferromagnetic s-d coupling parameter, the energy of the Kondo singlet state is lower than spin-1/2, which indicates that the larger spin, the easier it is to enter the Kondo-screened phase. This provides some theoretical support for the realization of the Kondo effect with ultra-cold atoms. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.11657v1-abstract-full').style.display = 'none'; document.getElementById('2203.11657v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 22 March, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> March 2022. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">15 pages, 2 figures, 1 table</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2203.05904">arXiv:2203.05904</a> <span> [<a href="https://arxiv.org/pdf/2203.05904">pdf</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> </div> </div> <p class="title is-5 mathjax"> Processing Induced Distinct Charge Carrier Dynamics of Bulky Organic Halide Treated Perovskites </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Dou%2C+B+D">Benjia Dak Dou</a>, <a href="/search/cond-mat?searchtype=author&query=deQuilettes%2C+D+W">Dane W. deQuilettes</a>, <a href="/search/cond-mat?searchtype=author&query=Laitz%2C+M">Madeleine Laitz</a>, <a href="/search/cond-mat?searchtype=author&query=Brenes%2C+R">Roberto Brenes</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+L">Lili Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Wassweiler%2C+E+L">Ella L Wassweiler</a>, <a href="/search/cond-mat?searchtype=author&query=Swartwout%2C+R">Richard Swartwout</a>, <a href="/search/cond-mat?searchtype=author&query=Yoo%2C+J+J">Jason J. Yoo</a>, <a href="/search/cond-mat?searchtype=author&query=Sponseller%2C+M">Melany Sponseller</a>, <a href="/search/cond-mat?searchtype=author&query=Hartono%2C+N+T+P">Noor Titan Putri Hartono</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shijing Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Buonassisi%2C+T">Tonio Buonassisi</a>, <a href="/search/cond-mat?searchtype=author&query=Bawendi%2C+M+G">Moungi G Bawendi</a>, <a href="/search/cond-mat?searchtype=author&query=Bulovic%2C+V">Vladimir Bulovic</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2203.05904v1-abstract-short" style="display: inline;"> State-of-the-art metal halide perovskite-based photovoltaics often employ organic ammonium salts, AX, as a surface passivator, where A is a large organic cation and X is a halide. These surface treatments passivate the perovskite by forming layered perovskites (e.g., A2PbX4) or by AX itself serving as a surface passivation agent on the perovskite photoactive film. It remains unclear whether layere… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.05904v1-abstract-full').style.display = 'inline'; document.getElementById('2203.05904v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2203.05904v1-abstract-full" style="display: none;"> State-of-the-art metal halide perovskite-based photovoltaics often employ organic ammonium salts, AX, as a surface passivator, where A is a large organic cation and X is a halide. These surface treatments passivate the perovskite by forming layered perovskites (e.g., A2PbX4) or by AX itself serving as a surface passivation agent on the perovskite photoactive film. It remains unclear whether layered perovskites or AX is the ideal passivator due to an incomplete understanding of the interfacial impact and resulting photoexcited carrier dynamics of AX treatment. In the present study, we use TRPL measurements to selectively probe the different interfaces of glass/perovskite/AX to demonstrate the vastly distinct interfacial photoexcited state dynamics with the presence of A2PbX4 or AX. Coupling the TRPL results with X-ray diffraction and nanoscale microscopy measurements, we find that the presence of AX not only passivates the traps at the surface and the grain boundaries, but also induces an 伪/未-FAPbI3 phase mixing that alters the carrier dynamics near the glass/perovskite interface and enhances the photoluminescence quantum yield. In contrast, the passivation with A2PbI4 is mostly localized to the surface and grain boundaries near the top surface where the availability of PbI2 directly determines the formation of A2PbI4. Such distinct mechanisms significantly impact the corresponding solar cell performance, and we find AX passivation that has not been converted to a layered perovskite allows for a much larger processing window (e.g., larger allowed variance of AX concentration which is critical for improving the eventual manufacturing yield) and more reproducible condition to realize device performance improvements, while A2PbI4 as a passivator yields a much narrower processing window. We expect these results to enable a more rational route for developing AX for perovskite. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.05904v1-abstract-full').style.display = 'none'; document.getElementById('2203.05904v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 11 March, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> March 2022. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">19 pages, 7 figures</span> </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2203.01501">arXiv:2203.01501</a> <span> [<a href="https://arxiv.org/pdf/2203.01501">pdf</a>, <a href="https://arxiv.org/format/2203.01501">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Mesoscale and Nanoscale Physics">cond-mat.mes-hall</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Optics">physics.optics</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1021/acs.nanolett.1c03282">10.1021/acs.nanolett.1c03282 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Strong light-matter interactions between gap plasmons and two-dimensional excitons at ambient condition in a deterministic way </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Yang%2C+L">Longlong Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Xie%2C+X">Xin Xie</a>, <a href="/search/cond-mat?searchtype=author&query=Yang%2C+J">Jingnan Yang</a>, <a href="/search/cond-mat?searchtype=author&query=Xue%2C+M">Mengfei Xue</a>, <a href="/search/cond-mat?searchtype=author&query=Wu%2C+S">Shiyao Wu</a>, <a href="/search/cond-mat?searchtype=author&query=Xiao%2C+S">Shan Xiao</a>, <a href="/search/cond-mat?searchtype=author&query=Song%2C+F">Feilong Song</a>, <a href="/search/cond-mat?searchtype=author&query=Dang%2C+J">Jianchen Dang</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Sibai Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Zuo%2C+Z">Zhanchun Zuo</a>, <a href="/search/cond-mat?searchtype=author&query=Chen%2C+J">Jianing Chen</a>, <a href="/search/cond-mat?searchtype=author&query=Huang%2C+Y">Yuan Huang</a>, <a href="/search/cond-mat?searchtype=author&query=Zhou%2C+X">Xingjiang Zhou</a>, <a href="/search/cond-mat?searchtype=author&query=Jin%2C+K">Kuijuan Jin</a>, <a href="/search/cond-mat?searchtype=author&query=Wang%2C+C">Can Wang</a>, <a href="/search/cond-mat?searchtype=author&query=Xu%2C+X">Xiulai Xu</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2203.01501v1-abstract-short" style="display: inline;"> Strong exciton-plasmon interaction between the layered two-dimensional (2D) semiconductors and gap plasmons shows a great potential to implement cavity quantum-electrodynamics in ambient condition. However, achieving a robust plasmon-exciton coupling with nanocavity is still very challenging, because the layer area is usually small with conventional approaches. Here, we report on a robust strong e… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.01501v1-abstract-full').style.display = 'inline'; document.getElementById('2203.01501v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2203.01501v1-abstract-full" style="display: none;"> Strong exciton-plasmon interaction between the layered two-dimensional (2D) semiconductors and gap plasmons shows a great potential to implement cavity quantum-electrodynamics in ambient condition. However, achieving a robust plasmon-exciton coupling with nanocavity is still very challenging, because the layer area is usually small with conventional approaches. Here, we report on a robust strong exciton-plasmon coupling between the gap mode of bowtie and the excitons in MoS$_2$ layers with gold-assisted mechanical exfoliation and the nondestructive wet transfer techniques for large-area layer. Benefiting from the ultrasmall mode volume and strong in-plane field, the estimated effective exciton number contributing to the coupling is largely reduced. With a corrected exciton transition dipole moment, the exciton numbers are extracted with 40 for the case of monolayer and 48 for 8 layers. Our work paves a way to realize the strong coupling with 2D materials with few excitons at room temperature. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2203.01501v1-abstract-full').style.display = 'none'; document.getElementById('2203.01501v1-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 2 March, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> March 2022. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">21 pages, 5 figures</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Nano Letters, 2022, 22, 2177-2186 </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2201.11912">arXiv:2201.11912</a> <span> [<a href="https://arxiv.org/pdf/2201.11912">pdf</a>, <a href="https://arxiv.org/format/2201.11912">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Materials Science">cond-mat.mtrl-sci</span> <span class="tag is-small is-grey tooltip is-tooltip-top" data-tooltip="Computational Physics">physics.comp-ph</span> </div> <div class="is-inline-block" style="margin-left: 0.5rem"> <div class="tags has-addons"> <span class="tag is-dark is-size-7">doi</span> <span class="tag is-light is-size-7"><a class="" href="https://doi.org/10.1103/PhysRevB.106.245201">10.1103/PhysRevB.106.245201 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> High-field transport and hot electron noise in GaAs from first principles: role of two-phonon scattering </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Cheng%2C+P+S">Peishi S. Cheng</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+J">Jiace Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Sun%2C+S">Shi-Ning Sun</a>, <a href="/search/cond-mat?searchtype=author&query=Choi%2C+A+Y">Alexander Y. Choi</a>, <a href="/search/cond-mat?searchtype=author&query=Minnich%2C+A+J">Austin J. Minnich</a> </p> <p class="abstract mathjax"> <span class="has-text-black-bis has-text-weight-semibold">Abstract</span>: <span class="abstract-short has-text-grey-dark mathjax" id="2201.11912v2-abstract-short" style="display: inline;"> High-field charge transport in semiconductors is of fundamental interest and practical importance. While the \textit{ab initio} treatment of low-field transport is well-developed, the treatment of high-field transport is much less so, particularly for multi-phonon processes that are reported to be relevant in GaAs. Here, we report a calculation of the high-field transport properties and current po… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2201.11912v2-abstract-full').style.display = 'inline'; document.getElementById('2201.11912v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2201.11912v2-abstract-full" style="display: none;"> High-field charge transport in semiconductors is of fundamental interest and practical importance. While the \textit{ab initio} treatment of low-field transport is well-developed, the treatment of high-field transport is much less so, particularly for multi-phonon processes that are reported to be relevant in GaAs. Here, we report a calculation of the high-field transport properties and current power spectral density (PSD) of hot electrons in GaAs from first principles including on-shell two-phonon (2ph) scattering. The on-shell 2ph scattering rates are found to qualitatively alter the high-field distribution function by increasing both the momentum and energy relaxation rates as well as contributing markedly to intervalley scattering. This finding reconciles a long-standing discrepancy regarding the strength of intervalley scattering in GaAs as inferred from transport and optical studies. The characteristic non-monotonic trend of PSD with electric field is not predicted at this level of theory. Our work shows how \textit{ab initio} calculations of high-field transport and noise may be used as a stringent test of the electron-phonon interaction in semiconductors. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2201.11912v2-abstract-full').style.display = 'none'; document.getElementById('2201.11912v2-abstract-short').style.display = 'inline';">△ Less</a> </span> </p> <p class="is-size-7"><span class="has-text-black-bis has-text-weight-semibold">Submitted</span> 6 July, 2022; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 27 January, 2022; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> January 2022. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Comments:</span> <span class="has-text-grey-dark mathjax">34 pages, 6 figures, submitted to Physical Review B</span> </p> </li> </ol> <nav class="pagination is-small is-centered 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