Search | arXiv e-print repository

<!DOCTYPE html> <html lang="en"> <head> <meta charset="utf-8"/> <meta name="viewport" content="width=device-width, initial-scale=1"/>  <link rel="apple-touch-icon" sizes="180x180" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/apple-touch-icon.png"> <link rel="icon" type="image/png" sizes="32x32" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/favicon-32x32.png"> <link rel="icon" type="image/png" sizes="16x16" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/favicon-16x16.png"> <link rel="manifest" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/site.webmanifest"> <link rel="mask-icon" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/safari-pinned-tab.svg" color="#b31b1b"> <link rel="shortcut icon" href="https://static.arxiv.org/static/base/1.0.0a5/images/icons/favicon.ico"> <meta name="msapplication-TileColor" content="#b31b1b"> <meta name="msapplication-config" content="images/icons/browserconfig.xml"> <meta name="theme-color" content="#b31b1b">  <title>Search | arXiv e-print repository</title> <script defer src="https://static.arxiv.org/static/base/1.0.0a5/fontawesome-free-5.11.2-web/js/all.js"></script> <link rel="stylesheet" href="https://static.arxiv.org/static/base/1.0.0a5/css/arxivstyle.css" /> <script type="text/x-mathjax-config"> MathJax.Hub.Config({ messageStyle: "none", extensions: ["tex2jax.js"], jax: ["input/TeX", "output/HTML-CSS"], tex2jax: { inlineMath: [ ['$','$'], ["\$","\$"] ], displayMath: [ ['$$','$$'], ["\\[","\\]"] ], processEscapes: true, ignoreClass: '.*', processClass: 'mathjax.*' }, TeX: { extensions: ["AMSmath.js", "AMSsymbols.js", "noErrors.js"], noErrors: { inlineDelimiters: ["$","$"], multiLine: false, style: { "font-size": "normal", "border": "" } } }, "HTML-CSS": { availableFonts: ["TeX"] } }); </script> <script src='//static.arxiv.org/MathJax-2.7.3/MathJax.js'></script> <script src="https://static.arxiv.org/static/base/1.0.0a5/js/notification.js"></script> <link rel="stylesheet" href="https://static.arxiv.org/static/search/0.5.6/css/bulma-tooltip.min.css" /> <link rel="stylesheet" href="https://static.arxiv.org/static/search/0.5.6/css/search.css" /> <script src="https://code.jquery.com/jquery-3.2.1.slim.min.js" integrity="sha256-k2WSCIexGzOj3Euiig+TlR8gA0EmPjuc79OEeY5L45g=" crossorigin="anonymous"></script> <script src="https://static.arxiv.org/static/search/0.5.6/js/fieldset.js"></script> <style> radio#cf-customfield_11400 { display: none; } </style> </head> <body> <header><a href="#main-container" class="is-sr-only">Skip to main content</a>  <div class="attribution level is-marginless" role="banner"> <div class="level-left"> <a class="level-item" href="https://cornell.edu/"><img src="https://static.arxiv.org/static/base/1.0.0a5/images/cornell-reduced-white-SMALL.svg" alt="Cornell University" width="200" aria-label="logo" /></a> </div> <div class="level-right is-marginless"><p class="sponsors level-item is-marginless"><span id="support-ack-url">We gratefully acknowledge support from<br /> the Simons Foundation, <a href="https://info.arxiv.org/about/ourmembers.html">member institutions</a>, and all contributors. <a href="https://info.arxiv.org/about/donate.html">Donate</a></span></p></div> </div>  <div class="identity level is-marginless"> <div class="level-left"> <div class="level-item"> <a class="arxiv" href="https://arxiv.org/" aria-label="arxiv-logo"> <img src="https://static.arxiv.org/static/base/1.0.0a5/images/arxiv-logo-one-color-white.svg" aria-label="logo" alt="arxiv logo" width="85" style="width:85px;"/> </a> </div> </div> <div class="search-block level-right"> <form class="level-item mini-search" method="GET" action="https://arxiv.org/search"> <div class="field has-addons"> <div class="control"> <input class="input is-small" type="text" name="query" placeholder="Search..." aria-label="Search term or terms" /> <p class="help"><a href="https://info.arxiv.org/help">Help</a> | <a href="https://arxiv.org/search/advanced">Advanced Search</a></p> </div> <div class="control"> <div class="select is-small"> <select name="searchtype" aria-label="Field to search"> <option value="all" selected="selected">All fields</option> <option value="title">Title</option> <option value="author">Author</option> <option value="abstract">Abstract</option> <option value="comments">Comments</option> <option value="journal_ref">Journal reference</option> <option value="acm_class">ACM classification</option> <option value="msc_class">MSC classification</option> <option value="report_num">Report number</option> <option value="paper_id">arXiv identifier</option> <option value="doi">DOI</option> <option value="orcid">ORCID</option> <option value="author_id">arXiv author ID</option> <option value="help">Help pages</option> <option value="full_text">Full text</option> </select> </div> </div> <input type="hidden" name="source" value="header"> <button class="button is-small is-cul-darker">Search</button> </div> </form> </div> </div>  <div class="container"> <div class="user-tools is-size-7 has-text-right has-text-weight-bold" role="navigation" aria-label="User menu"> <a href="https://arxiv.org/login">Login</a> </div> </div> </header> <main class="container" id="main-container"> <div class="level is-marginless"> <div class="level-left"> <h1 class="title is-clearfix"> Showing 1–10 of 10 results for author: <span class="mathjax">Sharan, A</span> </h1> </div> <div class="level-right is-hidden-mobile">  <span class="help" style="display: inline-block;"><a href="https://github.com/arXiv/arxiv-search/releases">Search v0.5.6 released 2020-02-24</a>  </span> </div> </div> <div class="content"> <form method="GET" action="/search/cond-mat" aria-role="search"> Searching in archive <strong>cond-mat</strong>. <a href="/search/?searchtype=author&query=Sharan%2C+A">Search in all archives.</a> <div class="field has-addons-tablet"> <div class="control is-expanded"> <label for="query" class="hidden-label">Search term or terms</label> <input class="input is-medium" id="query" name="query" placeholder="Search term..." type="text" value="Sharan, A"> </div> <div class="select control is-medium"> <label class="is-hidden" for="searchtype">Field</label> <select class="is-medium" id="searchtype" name="searchtype"><option value="all">All fields</option><option value="title">Title</option><option selected value="author">Author(s)</option><option value="abstract">Abstract</option><option value="comments">Comments</option><option value="journal_ref">Journal reference</option><option value="acm_class">ACM classification</option><option value="msc_class">MSC classification</option><option value="report_num">Report number</option><option value="paper_id">arXiv identifier</option><option value="doi">DOI</option><option value="orcid">ORCID</option><option value="license">License (URI)</option><option value="author_id">arXiv author ID</option><option value="help">Help pages</option><option value="full_text">Full text</option></select> </div> <div class="control"> <button class="button is-link is-medium">Search</button> </div> </div> <div class="field"> <div class="control is-size-7"> <label class="radio"> <input checked id="abstracts-0" name="abstracts" type="radio" value="show"> Show abstracts </label> <label class="radio"> <input id="abstracts-1" name="abstracts" type="radio" value="hide"> Hide abstracts </label> </div> </div> <div class="is-clearfix" style="height: 2.5em"> <div class="is-pulled-right"> <a href="/search/advanced?terms-0-term=Sharan%2C+A&terms-0-field=author&size=50&order=-announced_date_first">Advanced Search</a> </div> </div> <input type="hidden" name="order" value="-announced_date_first"> <input type="hidden" name="size" value="50"> </form> <div class="level breathe-horizontal"> <div class="level-left"> <form method="GET" action="/search/"> <div style="display: none;"> <select id="searchtype" name="searchtype"><option value="all">All fields</option><option value="title">Title</option><option selected value="author">Author(s)</option><option value="abstract">Abstract</option><option value="comments">Comments</option><option value="journal_ref">Journal reference</option><option value="acm_class">ACM classification</option><option value="msc_class">MSC classification</option><option value="report_num">Report number</option><option value="paper_id">arXiv identifier</option><option value="doi">DOI</option><option value="orcid">ORCID</option><option value="license">License (URI)</option><option value="author_id">arXiv author ID</option><option value="help">Help pages</option><option value="full_text">Full text</option></select> <input id="query" name="query" type="text" value="Sharan, A"> <ul id="abstracts"><li><input checked id="abstracts-0" name="abstracts" type="radio" value="show"> <label for="abstracts-0">Show abstracts</label></li><li><input id="abstracts-1" name="abstracts" type="radio" value="hide"> <label for="abstracts-1">Hide abstracts</label></li></ul> </div> <div class="box field is-grouped is-grouped-multiline level-item"> <div class="control"> <span class="select is-small"> <select id="size" name="size"><option value="25">25</option><option selected value="50">50</option><option value="100">100</option><option value="200">200</option></select> </span> <label for="size">results per page</label>. </div> <div class="control"> <label for="order">Sort results by</label> <span class="select is-small"> <select id="order" name="order"><option selected value="-announced_date_first">Announcement date (newest first)</option><option value="announced_date_first">Announcement date (oldest first)</option><option value="-submitted_date">Submission date (newest first)</option><option value="submitted_date">Submission date (oldest first)</option><option value="">Relevance</option></select> </span> </div> <div class="control"> <button class="button is-small is-link">Go</button> </div> </div> </form> </div> </div> <ol class="breathe-horizontal" start="1"> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2306.17554">arXiv:2306.17554</a> <span> [<a href="https://arxiv.org/pdf/2306.17554">pdf</a>, <a href="https://arxiv.org/format/2306.17554">other</a>] </span> </p> <div class="tags is-inline-block"> <span class="tag is-small is-link tooltip is-tooltip-top" data-tooltip="Optics">physics.optics</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"> Ab initio insights on the ultrafast strong-field dynamics of anatase TiO$_2$ </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=B%2C+S+L+S">Sruthil Lal S. B</a>, <a href="/search/cond-mat?searchtype=author&query=Lokamani"> Lokamani</a>, <a href="/search/cond-mat?searchtype=author&query=Ramakrishna%2C+K">Kushal Ramakrishna</a>, <a href="/search/cond-mat?searchtype=author&query=Cangi%2C+A">Attila Cangi</a>, <a href="/search/cond-mat?searchtype=author&query=Murali%2C+D">D Murali</a>, <a href="/search/cond-mat?searchtype=author&query=Posselt%2C+M">Matthias Posselt</a>, <a href="/search/cond-mat?searchtype=author&query=Devi%2C+A+A+S">Assa Aravindh Sasikala Devi</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Alok Sharan</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="2306.17554v1-abstract-short" style="display: inline;"> Electron dynamics of anatase TiO$_2$ under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our findings demonstrate the effectiveness of TDDFT calculations in modeling the electron dynamics of solids during ultrashort laser excitation, providing valuable insights for designing and optimizing nonlinear photonic dev… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2306.17554v1-abstract-full').style.display = 'inline'; document.getElementById('2306.17554v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2306.17554v1-abstract-full" style="display: none;"> Electron dynamics of anatase TiO$_2$ under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our findings demonstrate the effectiveness of TDDFT calculations in modeling the electron dynamics of solids during ultrashort laser excitation, providing valuable insights for designing and optimizing nonlinear photonic devices. We analyze the perturbative and non-perturbative responses of TiO$_2$ to 30 fs laser pulses at 400 and 800 nm wavelengths, elucidating the underlying mechanisms. At 400 nm, ionization via single photon absorption dominates, even at very low intensities. At 800 nm, we observe ionization through two-photon absorption within the intensity range of $1\times10^{10}$ to $9\times10^{12}$ W/cm$^2$, with a transition from multiphoton to tunneling ionization occurring at $9\times10^{12}$ W/cm$^2$. We observe a sudden increase in energy and the number of excited electrons beyond $1\times10^{13}$ W/cm$^2$, leading to their saturation and subsequent laser-induced damage. We estimate the damage threshold of TiO$_2$ for 800 nm to be 0.1 J/cm$^2$. In the perturbative regime, induced currents exhibit a phase shift proportional to the peak intensity of the laser pulse. This phase shift is attributed to the intensity-dependent changes in the number of free carriers, indicative of the optical Kerr effect. Leveraging the linear dependence of phase shift on peak intensities, we estimate the nonlinear refractive index ($n_2$) of TiO$_2$ to be $3.54\times10^{-11}$ cm$^2$/W. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2306.17554v1-abstract-full').style.display = 'none'; document.getElementById('2306.17554v1-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 June, 2023; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> June 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">27 Pages (Including 3 pages of supplemental material), 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/2206.14626">arXiv:2206.14626</a> <span> [<a href="https://arxiv.org/pdf/2206.14626">pdf</a>, <a href="https://arxiv.org/format/2206.14626">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"> Computational Discovery of Two-Dimensional Rare-Earth Iodides: Promising Ferrovalley Materials for Valleytronics </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=Lany%2C+S">Stephan Lany</a>, <a href="/search/cond-mat?searchtype=author&query=Singh%2C+N">Nirpendra Singh</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="2206.14626v1-abstract-short" style="display: inline;"> Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter. Using Kinetically Limited Minimization (KLM), an unconstrained crystal structure prediction algorithm, and prototype sampling based on first-principles calculations, we have discovered 17 new Ferrovalley materials (rare-earth io… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2206.14626v1-abstract-full').style.display = 'inline'; document.getElementById('2206.14626v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2206.14626v1-abstract-full" style="display: none;"> Two-dimensional Ferrovalley materials with intrinsic valley polarization are rare but highly promising for valley-based nonvolatile random access memory and valley filter. Using Kinetically Limited Minimization (KLM), an unconstrained crystal structure prediction algorithm, and prototype sampling based on first-principles calculations, we have discovered 17 new Ferrovalley materials (rare-earth iodides RI$_2$, where R is a rare-earth element belonging to Sc, Y, or La-Lu, and I is Iodine). The rare-earth iodides are layered and demonstrate 2H, 1T, or 1T$_d$ phase as the ground-state in bulk, analogous to transition metal dichalcogenides (TMDCs). The calculated exfoliation energy of monolayers is comparable to that of graphene and TMDCs, suggesting possible experimental synthesis. The monolayers in the 2H phase exhibit two-dimensional ferromagnetism due to unpaired electrons in $d$ and $f$ orbitals. Throughout the rare-earth series, $d$ bands show valley polarization at $K$ and $\bar{K}$ points in the Brillouin zone near the Fermi level. Due to strong magnetic exchange interaction and spin-orbit coupling, large intrinsic valley polarization in the range of 15-143 meV without external stimuli is observed, which can be tuned and enhanced by applying a biaxial strain. These valleys can selectively be probed and manipulated for information storage and processing, potentially offering superior performance beyond conventional electronics and spintronics. We further show that the 2H ferromagnetic phase of RI$_2$ monolayers possesses non-zero Berry curvature and exhibits the valley Hall effect with considerable anomalous Hall conductivity. Our work will incite exploratory synthesis of the predicted Ferrovalley materials and their application in valleytronics and beyond. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2206.14626v1-abstract-full').style.display = 'none'; document.getElementById('2206.14626v1-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, 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">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/2112.03027">arXiv:2112.03027</a> <span> [<a href="https://arxiv.org/pdf/2112.03027">pdf</a>, <a href="https://arxiv.org/format/2112.03027">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="Optics">physics.optics</span> </div> </div> <p class="title is-5 mathjax"> Quasiparticle electronic structure and optical response ($G_0W_0$+BSE) of anatase TiO$_2$ starting from modified HSE06 functionals </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=B%2C+S+L+S">Sruthil Lal S. B</a>, <a href="/search/cond-mat?searchtype=author&query=Murali%2C+D">D Murali</a>, <a href="/search/cond-mat?searchtype=author&query=Posselt%2C+M">Matthias Posselt</a>, <a href="/search/cond-mat?searchtype=author&query=Devi%2C+A+A+S">Assa Aravindh Sasikala Devi</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Alok Sharan</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="2112.03027v1-abstract-short" style="display: inline;"> The quasiparticle electronic structure and optical excitation of anatase TiO$_2$ is determined within the framework of many-body perturbation theory (MBPT) by combining the $G_0W_0$ method and the Bethe-Salpeter Equation (BSE). A modified version of the HSE06 screened hybrid functional, that includes 20\% exact Fock exchange (HSE06(20)) as opposed to 25\% in the standard HSE06 functional, is used… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2112.03027v1-abstract-full').style.display = 'inline'; document.getElementById('2112.03027v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2112.03027v1-abstract-full" style="display: none;"> The quasiparticle electronic structure and optical excitation of anatase TiO$_2$ is determined within the framework of many-body perturbation theory (MBPT) by combining the $G_0W_0$ method and the Bethe-Salpeter Equation (BSE). A modified version of the HSE06 screened hybrid functional, that includes 20\% exact Fock exchange (HSE06(20)) as opposed to 25\% in the standard HSE06 functional, is used to set up the starting Hamiltonian for $G_0W_0$+BSE calculations. The HSE06(20) functional accurately predicts the ground state electronic band structure. BSE calculations based on data from $G_0W_0$+HSE06(20) yield direct optical excitation energies and oscillator strengths in excellent agreement with existing experiments and theoretical calculations characterizing direct excitation. In particular, an exciton binding energy of 229 $\pm$ 10 meV is obtained, in close agreement with experiments. The projections of excitonic states onto the quasiparticle band structure in a fatband representation shows that the lowest optical transition of anatase TiO$_2$ consists of excitons originating from the mixing of direct transitions within band pairs running parallel to the $螕-Z $ direction in the tetragonal Brillouin zone. This implies a strong spatial localization of excitons in the $xy$ plane of the lattice. This investigation highlights the importance of a suitable non-interacting Hamiltonian for the MBPT based quasiparticle $G_0W_0$ and subsequent BSE calculations and suggests HSE06(20) as an optimal choice in the case of anatase TiO$_2$. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2112.03027v1-abstract-full').style.display = 'none'; document.getElementById('2112.03027v1-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 December, 2021; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> December 2021. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2111.14135">arXiv:2111.14135</a> <span> [<a href="https://arxiv.org/pdf/2111.14135">pdf</a>, <a href="https://arxiv.org/format/2111.14135">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"> Electronic properties of the Weyl semimetals Co$_2$MnX (X=Si, Ge, Sn) </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=de+Lima%2C+F+C">Felipe Crasto de Lima</a>, <a href="/search/cond-mat?searchtype=author&query=Khalid%2C+S">Shoaib Khalid</a>, <a href="/search/cond-mat?searchtype=author&query=Miwa%2C+R+H">Roberto H. Miwa</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</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="2111.14135v1-abstract-short" style="display: inline;"> Using first-principles electronic structure calculations, we show that ferromagnetic Heusler compounds Co$_2$MnX (X= Si, Ge, Sn) present non-trivial topological characteristics and belong to the category of Weyl semimetals. These materials exhibit two topologically interesting band crossings near the Fermi level. These band crossings have complex 3D geometries in the Brillouin zone and are charact… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2111.14135v1-abstract-full').style.display = 'inline'; document.getElementById('2111.14135v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2111.14135v1-abstract-full" style="display: none;"> Using first-principles electronic structure calculations, we show that ferromagnetic Heusler compounds Co$_2$MnX (X= Si, Ge, Sn) present non-trivial topological characteristics and belong to the category of Weyl semimetals. These materials exhibit two topologically interesting band crossings near the Fermi level. These band crossings have complex 3D geometries in the Brillouin zone and are characterized by non-trivial topology as Hopf links and chain-like nodal lines, that are protected by the perpendicular mirror planes. The spin-orbit interaction split these nodal lines into several zero-dimensional Weyl band crossings. Unlike previously known topologically non-trivial Heusler materials, these majority-spin band crossings lie in the band gap of minority spin bands, potentially facilitating its experimental realization. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2111.14135v1-abstract-full').style.display = 'none'; document.getElementById('2111.14135v1-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> 28 November, 2021; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2021. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/2009.11489">arXiv:2009.11489</a> <span> [<a href="https://arxiv.org/pdf/2009.11489">pdf</a>, <a href="https://arxiv.org/format/2009.11489">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/10.1103/PhysRevB.103.045134">10.1103/PhysRevB.103.045134 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Electronic correlations in the semiconducting half-Heusler compound FeVSb </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Shourov%2C+E+H">Estiaque H. Shourov</a>, <a href="/search/cond-mat?searchtype=author&query=Strohbeen%2C+P+J">Patrick J. Strohbeen</a>, <a href="/search/cond-mat?searchtype=author&query=Du%2C+D">Dongxue Du</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=de+Lima%2C+F+C">Felipe C. de Lima</a>, <a href="/search/cond-mat?searchtype=author&query=Rodolakis%2C+F">Fanny Rodolakis</a>, <a href="/search/cond-mat?searchtype=author&query=McChesney%2C+J">Jessica McChesney</a>, <a href="/search/cond-mat?searchtype=author&query=Yannello%2C+V">Vincent Yannello</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</a>, <a href="/search/cond-mat?searchtype=author&query=Birol%2C+T">Turan Birol</a>, <a href="/search/cond-mat?searchtype=author&query=Kawasaki%2C+J+K">Jason K. Kawasaki</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="2009.11489v2-abstract-short" style="display: inline;"> Electronic correlations are crucial to the low energy physics of metallic systems with localized $d$ and $f$ states; however, their effect on band insulators and semiconductors is typically negligible. Here, we measure the electronic structure of the half-Heusler compound FeVSb, a band insulator with filled shell configuration of 18 valence electrons per formula unit ($s^2 p^6 d^{10}$). Angle-reso… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2009.11489v2-abstract-full').style.display = 'inline'; document.getElementById('2009.11489v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="2009.11489v2-abstract-full" style="display: none;"> Electronic correlations are crucial to the low energy physics of metallic systems with localized $d$ and $f$ states; however, their effect on band insulators and semiconductors is typically negligible. Here, we measure the electronic structure of the half-Heusler compound FeVSb, a band insulator with filled shell configuration of 18 valence electrons per formula unit ($s^2 p^6 d^{10}$). Angle-resolved photoemission spectroscopy (ARPES) reveals a mass renormalization of $m^{*}/m_{bare}= 1.4$, where $m^{*}$ is the measured effective mass and $m_{bare}$ is the mass from density functional theory (DFT) calculations with no added on-site Coulomb repulsion. Our measurements are in quantitative agreement with dynamical mean field theory (DMFT) calculations, highlighting the many-body origin of the mass renormalization. This mass renormalization lies in dramatic contrast to other filled shell intermetallics, including the thermoelectric materials CoTiSb and NiTiSn; and has a similar origin to that in FeSi, where Hund's coupling induced fluctuations across the gap can explain a dynamical self-energy and correlations. Our work calls for a re-thinking of the role of correlations and Hund's coupling in intermetallic band insulators. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('2009.11489v2-abstract-full').style.display = 'none'; document.getElementById('2009.11489v2-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> 24 September, 2020; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 24 September, 2020; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> September 2020. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. B 103, 045134 (2021) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/1911.06184">arXiv:1911.06184</a> <span> [<a href="https://arxiv.org/pdf/1911.06184">pdf</a>, <a href="https://arxiv.org/format/1911.06184">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/10.1103/PhysRevB.101.125105">10.1103/PhysRevB.101.125105 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Hybrid functional calculations of electronic structure and carrier densities in rare-earth monopnictides </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Khalid%2C+S">Shoaib Khalid</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</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="1911.06184v1-abstract-short" style="display: inline;"> The structural parameters and electronic structure of rare-earth pnictides are calculated using density functional theory (DFT) with the Heyd, Scuseria, and Ernzerhof (HSE06) screened hybrid functional. We focus on RE-V compounds, with RE=La, Gd, Er, and Lu, and V=As, Sb, and Bi, and analyze the effects of spin-orbit coupling and treating the RE 4$f$ electrons as valence electrons in the projector… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1911.06184v1-abstract-full').style.display = 'inline'; document.getElementById('1911.06184v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="1911.06184v1-abstract-full" style="display: none;"> The structural parameters and electronic structure of rare-earth pnictides are calculated using density functional theory (DFT) with the Heyd, Scuseria, and Ernzerhof (HSE06) screened hybrid functional. We focus on RE-V compounds, with RE=La, Gd, Er, and Lu, and V=As, Sb, and Bi, and analyze the effects of spin-orbit coupling and treating the RE 4$f$ electrons as valence electrons in the projector augmented wave approach. The results of HSE06 calculations are compared with DFT within the generalized gradient approximation (DFT-GGA) and other previous calculations. We find that all these RE-V compounds are semimetals with electron pockets at the $X$ point and hole pockets at $螕$. Whereas in DFT-GGA the carrier density is significantly overestimated, the computed carrier densities using HSE06 is in good agreement with the available experimental data. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1911.06184v1-abstract-full').style.display = 'none'; document.getElementById('1911.06184v1-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 November, 2019; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2019. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. B 101, 125105 (2020) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/1909.12487">arXiv:1909.12487</a> <span> [<a href="https://arxiv.org/pdf/1909.12487">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"> Surface Reconstructions of Heusler Compounds in the Ni-Ti-Sn (001) System </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Rice%2C+A+D">Anthony D. Rice</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=Wilson%2C+N+S">Nathaniel S. Wilson</a>, <a href="/search/cond-mat?searchtype=author&query=Harrington%2C+S+D">Sean D. Harrington</a>, <a href="/search/cond-mat?searchtype=author&query=Pendharkar%2C+M">Mihir Pendharkar</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</a>, <a href="/search/cond-mat?searchtype=author&query=Palmstr%C3%B8m%2C+C+J">Chris J. Palmstr酶m</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="1909.12487v1-abstract-short" style="display: inline;"> As progress is made on thin-film synthesis of Heusler compounds, a more complete understanding of the surface will be required to control their properties, especially as functional heterostructures are explored. Here, the surface reconstructions of semiconducting half-Heusler NiTiSn(001), and Ni1+xTiSn(001) (x=0.0-1.0) are explored as a way to optimize growth conditions during molecular beam epita… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1909.12487v1-abstract-full').style.display = 'inline'; document.getElementById('1909.12487v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="1909.12487v1-abstract-full" style="display: none;"> As progress is made on thin-film synthesis of Heusler compounds, a more complete understanding of the surface will be required to control their properties, especially as functional heterostructures are explored. Here, the surface reconstructions of semiconducting half-Heusler NiTiSn(001), and Ni1+xTiSn(001) (x=0.0-1.0) are explored as a way to optimize growth conditions during molecular beam epitaxy. Density functional theory (DFT) calculations were carried out to guide the interpretation of the experimental results. For NiTiSn(001) a c(2x2) surface reconstruction was observed for Sn rich samples, while a (1x1) unreconstructed surface was observed for Ti-rich samples. A narrow range around 1:1:1 stoichiometry exhibited a (2x1) surface reconstruction. Electrical transport is used to relate the observed reflection high energy electron diffraction (RHEED) pattern during and after growth with carrier concentration and stoichiometry. Scanning tunneling microscopy and RHEED were used to examine surface reconstructions, the results of which are in good agreement with density functional calculations. X-ray photoelectron spectroscopy was used to determine surface termination and stoichiometry. Atomic surface models are proposed, which suggest Sn-dimers form in reconstructed Ni1+xTiSn(001) half-Heusler surfaces (x<0.25) with a transition to Ni terminated surfaces for x > 0.25. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1909.12487v1-abstract-full').style.display = 'none'; document.getElementById('1909.12487v1-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 September, 2019; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> September 2019. </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/1902.00048">arXiv:1902.00048</a> <span> [<a href="https://arxiv.org/pdf/1902.00048">pdf</a>, <a href="https://arxiv.org/format/1902.00048">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/10.1103/PhysRevB.99.125134">10.1103/PhysRevB.99.125134 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Weak antilocalization in quasi-two-dimensional electronic states of epitaxial LuSb thin films </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Chatterjee%2C+S">Shouvik Chatterjee</a>, <a href="/search/cond-mat?searchtype=author&query=Khalid%2C+S">Shoaib Khalid</a>, <a href="/search/cond-mat?searchtype=author&query=Inbar%2C+H+S">Hadass S. Inbar</a>, <a href="/search/cond-mat?searchtype=author&query=Goswami%2C+A">Aranya Goswami</a>, <a href="/search/cond-mat?searchtype=author&query=de+Lima%2C+F+C">Felipe Crasto de Lima</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=Sabino%2C+F+P">Fernando P. Sabino</a>, <a href="/search/cond-mat?searchtype=author&query=Brown-Heft%2C+T+L">Tobias L. Brown-Heft</a>, <a href="/search/cond-mat?searchtype=author&query=Chang%2C+Y">Yu-Hao Chang</a>, <a href="/search/cond-mat?searchtype=author&query=Fedorov%2C+A+V">Alexei V. Fedorov</a>, <a href="/search/cond-mat?searchtype=author&query=Read%2C+D">Dan Read</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</a>, <a href="/search/cond-mat?searchtype=author&query=Palmstr%C3%B8m%2C+C+J">Christopher J. Palmstr酶m</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="1902.00048v2-abstract-short" style="display: inline;"> Observation of large non-saturating magnetoresistance in rare-earth monopnictides has raised enormous interest in understanding the role of its electronic structure. Here, by a combination of molecular-beam epitaxy, low-temperature transport, angle-resolved photoemssion spectroscopy, and hybrid density functional theory we have unveiled the bandstructure of LuSb, where electron-hole compensation i… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1902.00048v2-abstract-full').style.display = 'inline'; document.getElementById('1902.00048v2-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="1902.00048v2-abstract-full" style="display: none;"> Observation of large non-saturating magnetoresistance in rare-earth monopnictides has raised enormous interest in understanding the role of its electronic structure. Here, by a combination of molecular-beam epitaxy, low-temperature transport, angle-resolved photoemssion spectroscopy, and hybrid density functional theory we have unveiled the bandstructure of LuSb, where electron-hole compensation is identified as a mechanism responsible for large magnetoresistance in this topologically trivial compound. In contrast to bulk single crystal analogues, quasi-two-dimensional behavior is observed in our thin films for both electron and holelike carriers, indicative of dimensional confinement of the electronic states. Introduction of defects through growth parameter tuning results in the appearance of quantum interference effects at low temperatures, which has allowed us to identify the dominant inelastic scattering processes and elucidate the role of spin-orbit coupling. Our findings open up new possibilities of band structure engineering and control of transport properties in rare-earth monopnictides via epitaxial synthesis. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1902.00048v2-abstract-full').style.display = 'none'; document.getElementById('1902.00048v2-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> 25 March, 2019; <span class="has-text-black-bis has-text-weight-semibold">v1</span> submitted 31 January, 2019; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> February 2019. </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">20 pages, 12 figures; includes supplementary information</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. B 99, 125134 (2019) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/1812.05991">arXiv:1812.05991</a> <span> [<a href="https://arxiv.org/pdf/1812.05991">pdf</a>, <a href="https://arxiv.org/format/1812.05991">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/10.1103/PhysRevMaterials.3.061602">10.1103/PhysRevMaterials.3.061602 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Formation of two-dimensional electron and hole gases at the interface of half-Heusler semiconductors </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=Gui%2C+Z">Zhigang Gui</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</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="1812.05991v1-abstract-short" style="display: inline;"> Heuslers are a prominent family of multi-functional materials that includes semiconductors, half metals, topological semimetals, and magnetic superconductors. Owing to their same crystalline structure, yet quite different electronic properties and flexibility in chemical composition, Heusler-based heterostructures can be designed to show intriguing properties at the interface. Using electronic str… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1812.05991v1-abstract-full').style.display = 'inline'; document.getElementById('1812.05991v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="1812.05991v1-abstract-full" style="display: none;"> Heuslers are a prominent family of multi-functional materials that includes semiconductors, half metals, topological semimetals, and magnetic superconductors. Owing to their same crystalline structure, yet quite different electronic properties and flexibility in chemical composition, Heusler-based heterostructures can be designed to show intriguing properties at the interface. Using electronic structure calculations, we show that two dimensional electron or hole gases (2DEG or 2DHG) form at the interface of half-Heusler (HH) semiconductors without any chemical doping. We use CoTiSb/NiTiSn as an example, and show that the 2DEG at the TiSb/Ni(001) termination and the 2DHG at the Co/TiSn(001) termination are intrinsic to the interface, and hold rather high charge densities of 3x10^14 carriers/cm^2. These excess charge carriers are tightly bound to the interface plane and are fully accommodated in transition-metal d sub-bands. The formation of 2DEG and 2DHG are not specific to the CoTiSb/NiTiSn system; a list of combinations of HH semiconductors that are predicted to form 2DEG or 2DHG is provided based on band alignment, interface termination, and lattice mismatch. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1812.05991v1-abstract-full').style.display = 'none'; document.getElementById('1812.05991v1-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, 2018; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> December 2018. </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">12 pages including references, 6 figures</span> </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. Materials 3, 061602 (2019) </p> </li> <li class="arxiv-result"> <div class="is-marginless"> <p class="list-title is-inline-block"><a href="https://arxiv.org/abs/1711.05320">arXiv:1711.05320</a> <span> [<a href="https://arxiv.org/pdf/1711.05320">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/PhysRevMaterials.2.014406">10.1103/PhysRevMaterials.2.014406 <i class="fa fa-external-link" aria-hidden="true"></i></a></span> </div> </div> </div> <p class="title is-5 mathjax"> Growth, electrical, structural, and magnetic properties of half-Heusler CoTi$_{1-x}$Fe$_x$Sb </p> <p class="authors"> <span class="search-hit">Authors:</span> <a href="/search/cond-mat?searchtype=author&query=Harrington%2C+S+D">Sean D. Harrington</a>, <a href="/search/cond-mat?searchtype=author&query=Rice%2C+A+D">Anthony D. Rice</a>, <a href="/search/cond-mat?searchtype=author&query=Brown-Heft%2C+T">Tobias Brown-Heft</a>, <a href="/search/cond-mat?searchtype=author&query=Bonef%2C+B">Bastien Bonef</a>, <a href="/search/cond-mat?searchtype=author&query=Sharan%2C+A">Abhishek Sharan</a>, <a href="/search/cond-mat?searchtype=author&query=McFadden%2C+A+P">Anthony P. McFadden</a>, <a href="/search/cond-mat?searchtype=author&query=Logan%2C+J+A">John A. Logan</a>, <a href="/search/cond-mat?searchtype=author&query=Pendharkar%2C+M">Mihir Pendharkar</a>, <a href="/search/cond-mat?searchtype=author&query=Feldman%2C+M+M">Mayer M. Feldman</a>, <a href="/search/cond-mat?searchtype=author&query=Mercan%2C+O">Ozge Mercan</a>, <a href="/search/cond-mat?searchtype=author&query=Petukhov%2C+A+G">Andre G. Petukhov</a>, <a href="/search/cond-mat?searchtype=author&query=Janotti%2C+A">Anderson Janotti</a>, <a href="/search/cond-mat?searchtype=author&query=Arslan%2C+L+%C3%87">Leyla 脟olakerol Arslan</a>, <a href="/search/cond-mat?searchtype=author&query=Palmstr%C3%B8m%2C+C+J">Chris J. Palmstr酶m</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="1711.05320v1-abstract-short" style="display: inline;"> Epitaxial thin films of the substitutionally alloyed half-Heusler series CoTi$_{1-x}$Fe$_x$Sb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0$\leq$x$\leq$1.0. The influence of Fe on the structural, electronic, and magnetic properties was studied and compared to that expected from density functional theory. The films are epitaxial and single crystalline, as… <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1711.05320v1-abstract-full').style.display = 'inline'; document.getElementById('1711.05320v1-abstract-short').style.display = 'none';">▽ More</a> </span> <span class="abstract-full has-text-grey-dark mathjax" id="1711.05320v1-abstract-full" style="display: none;"> Epitaxial thin films of the substitutionally alloyed half-Heusler series CoTi$_{1-x}$Fe$_x$Sb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0$\leq$x$\leq$1.0. The influence of Fe on the structural, electronic, and magnetic properties was studied and compared to that expected from density functional theory. The films are epitaxial and single crystalline, as measured by reflection high-energy electron diffraction and X-ray diffraction. Using in-situ X-ray photoelectron spectroscopy, only small changes in the valence band are detected for x$\leq$0.5. For films with x$\geq$0.05, ferromagnetism is observed in SQUID magnetometry with a saturation magnetization that scales linearly with Fe content. A dramatic decrease in the magnetic moment per formula unit occurs when the Fe is substitutionally alloyed on the Co site indicating a strong dependence on the magnetic moment with site occupancy. A crossover from both in-plane and out-of-plane magnetic moments to only in-plane moment occurs for higher concentrations of Fe. Ferromagnetic resonance indicates a transition from weak to strong interaction with a reduction in inhomogeneous broadening as Fe content is increased. Temperature-dependent transport reveals a semiconductor to metal transition with thermally activated behavior for x$\leq$0.5. Anomalous Hall effect and large negative magnetoresistance (up to -18.5% at 100 kOe for x=0.3) are observed for higher Fe content films. Evidence of superparamagnetism for x=0.3 and x=0.2 suggests for moderate levels of Fe, demixing of the CoTi$_{1-x}$Fe$_x$Sb films into Fe rich and Fe deficient regions may be present. Atom probe tomography is used to examine the Fe distribution in a x=0.3 film. Statistical analysis reveals a nonhomogeneous distribution of Fe atoms throughout the film, which is used to explain the observed magnetic and electrical behavior. <a class="is-size-7" style="white-space: nowrap;" onclick="document.getElementById('1711.05320v1-abstract-full').style.display = 'none'; document.getElementById('1711.05320v1-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 November, 2017; <span class="has-text-black-bis has-text-weight-semibold">originally announced</span> November 2017. </p> <p class="comments is-size-7"> <span class="has-text-black-bis has-text-weight-semibold">Journal ref:</span> Phys. Rev. Materials 2, 014406 (2018) </p> </li> </ol> <div class="is-hidden-tablet">  <span class="help" style="display: inline-block;"><a href="https://github.com/arXiv/arxiv-search/releases">Search v0.5.6 released 2020-02-24</a>  </span> </div> </div> </main> <footer> <div class="columns is-desktop" role="navigation" aria-label="Secondary">  <div class="column"> <div class="columns"> <div class="column"> <ul class="nav-spaced"> <li><a href="https://info.arxiv.org/about">About</a></li> <li><a href="https://info.arxiv.org/help">Help</a></li> </ul> </div> <div class="column"> <ul class="nav-spaced"> <li> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><title>contact arXiv</title><desc>Click here to contact arXiv</desc><path d="M502.3 190.8c3.9-3.1 9.7-.2 9.7 4.7V400c0 26.5-21.5 48-48 48H48c-26.5 0-48-21.5-48-48V195.6c0-5 5.7-7.8 9.7-4.7 22.4 17.4 52.1 39.5 154.1 113.6 21.1 15.4 56.7 47.8 92.2 47.6 35.7.3 72-32.8 92.3-47.6 102-74.1 131.6-96.3 154-113.7zM256 320c23.2.4 56.6-29.2 73.4-41.4 132.7-96.3 142.8-104.7 173.4-128.7 5.8-4.5 9.2-11.5 9.2-18.9v-19c0-26.5-21.5-48-48-48H48C21.5 64 0 85.5 0 112v19c0 7.4 3.4 14.3 9.2 18.9 30.6 23.9 40.7 32.4 173.4 128.7 16.8 12.2 50.2 41.8 73.4 41.4z"/></svg> <a href="https://info.arxiv.org/help/contact.html"> Contact</a> </li> <li> <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><title>subscribe to arXiv mailings</title><desc>Click here to subscribe</desc><path d="M476 3.2L12.5 270.6c-18.1 10.4-15.8 35.6 2.2 43.2L121 358.4l287.3-253.2c5.5-4.9 13.3 2.6 8.6 8.3L176 407v80.5c0 23.6 28.5 32.9 42.5 15.8L282 426l124.6 52.2c14.2 6 30.4-2.9 33-18.2l72-432C515 7.8 493.3-6.8 476 3.2z"/></svg> <a href="https://info.arxiv.org/help/subscribe"> Subscribe</a> </li> </ul> </div> </div> </div>   <div class="column"> <div class="columns"> <div class="column"> <ul class="nav-spaced"> <li><a href="https://info.arxiv.org/help/license/index.html">Copyright</a></li> <li><a href="https://info.arxiv.org/help/policies/privacy_policy.html">Privacy Policy</a></li> </ul> </div> <div class="column sorry-app-links"> <ul class="nav-spaced"> <li><a href="https://info.arxiv.org/help/web_accessibility.html">Web Accessibility Assistance</a></li> <li> <p class="help"> <a class="a11y-main-link" href="https://status.arxiv.org" target="_blank">arXiv Operational Status <svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 256 512" class="icon filter-dark_grey" role="presentation"><path d="M224.3 273l-136 136c-9.4 9.4-24.6 9.4-33.9 0l-22.6-22.6c-9.4-9.4-9.4-24.6 0-33.9l96.4-96.4-96.4-96.4c-9.4-9.4-9.4-24.6 0-33.9L54.3 103c9.4-9.4 24.6-9.4 33.9 0l136 136c9.5 9.4 9.5 24.6.1 34z"/></svg></a><br> Get status notifications via <a class="is-link" href="https://subscribe.sorryapp.com/24846f03/email/new" target="_blank"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 512 512" class="icon filter-black" role="presentation"><path d="M502.3 190.8c3.9-3.1 9.7-.2 9.7 4.7V400c0 26.5-21.5 48-48 48H48c-26.5 0-48-21.5-48-48V195.6c0-5 5.7-7.8 9.7-4.7 22.4 17.4 52.1 39.5 154.1 113.6 21.1 15.4 56.7 47.8 92.2 47.6 35.7.3 72-32.8 92.3-47.6 102-74.1 131.6-96.3 154-113.7zM256 320c23.2.4 56.6-29.2 73.4-41.4 132.7-96.3 142.8-104.7 173.4-128.7 5.8-4.5 9.2-11.5 9.2-18.9v-19c0-26.5-21.5-48-48-48H48C21.5 64 0 85.5 0 112v19c0 7.4 3.4 14.3 9.2 18.9 30.6 23.9 40.7 32.4 173.4 128.7 16.8 12.2 50.2 41.8 73.4 41.4z"/></svg>email</a> or <a class="is-link" href="https://subscribe.sorryapp.com/24846f03/slack/new" target="_blank"><svg xmlns="http://www.w3.org/2000/svg" viewBox="0 0 448 512" class="icon filter-black" role="presentation"><path d="M94.12 315.1c0 25.9-21.16 47.06-47.06 47.06S0 341 0 315.1c0-25.9 21.16-47.06 47.06-47.06h47.06v47.06zm23.72 0c0-25.9 21.16-47.06 47.06-47.06s47.06 21.16 47.06 47.06v117.84c0 25.9-21.16 47.06-47.06 47.06s-47.06-21.16-47.06-47.06V315.1zm47.06-188.98c-25.9 0-47.06-21.16-47.06-47.06S139 32 164.9 32s47.06 21.16 47.06 47.06v47.06H164.9zm0 23.72c25.9 0 47.06 21.16 47.06 47.06s-21.16 47.06-47.06 47.06H47.06C21.16 243.96 0 222.8 0 196.9s21.16-47.06 47.06-47.06H164.9zm188.98 47.06c0-25.9 21.16-47.06 47.06-47.06 25.9 0 47.06 21.16 47.06 47.06s-21.16 47.06-47.06 47.06h-47.06V196.9zm-23.72 0c0 25.9-21.16 47.06-47.06 47.06-25.9 0-47.06-21.16-47.06-47.06V79.06c0-25.9 21.16-47.06 47.06-47.06 25.9 0 47.06 21.16 47.06 47.06V196.9zM283.1 385.88c25.9 0 47.06 21.16 47.06 47.06 0 25.9-21.16 47.06-47.06 47.06-25.9 0-47.06-21.16-47.06-47.06v-47.06h47.06zm0-23.72c-25.9 0-47.06-21.16-47.06-47.06 0-25.9 21.16-47.06 47.06-47.06h117.84c25.9 0 47.06 21.16 47.06 47.06 0 25.9-21.16 47.06-47.06 47.06H283.1z"/></svg>slack</a> </p> </li> </ul> </div> </div> </div>  </div> </footer> <script src="https://static.arxiv.org/static/base/1.0.0a5/js/member_acknowledgement.js"></script> </body> </html>

CINXE.COM

Search | arXiv e-print repository