Search results for: R. Khenata

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Khenata</title> <meta name="description" content="Search results for: R. Khenata"> <meta name="keywords" content="R. Khenata"> <meta name="viewport" content="width=device-width, initial-scale=1, minimum-scale=1, maximum-scale=1, user-scalable=no"> <meta charset="utf-8"> <link href="https://cdn.waset.org/favicon.ico" type="image/x-icon" rel="shortcut icon"> <link href="https://cdn.waset.org/static/plugins/bootstrap-4.2.1/css/bootstrap.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/plugins/fontawesome/css/all.min.css" rel="stylesheet"> <link href="https://cdn.waset.org/static/css/site.css?v=150220211555" rel="stylesheet"> </head> <body> <header> <div class="container"> <nav class="navbar navbar-expand-lg navbar-light"> <a class="navbar-brand" href="https://waset.org"> <img src="https://cdn.waset.org/static/images/wasetc.png" alt="Open Science Research Excellence" title="Open Science Research Excellence" /> </a> <button class="d-block d-lg-none navbar-toggler ml-auto" type="button" data-toggle="collapse" data-target="#navbarMenu" aria-controls="navbarMenu" aria-expanded="false" aria-label="Toggle navigation"> <span class="navbar-toggler-icon"></span> </button> <div class="w-100"> <div class="d-none d-lg-flex flex-row-reverse"> <form method="get" action="https://waset.org/search" class="form-inline my-2 my-lg-0"> <input class="form-control mr-sm-2" type="search" placeholder="Search Conferences" value="R. 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Khenata"> <input type="submit" class="btn_search" value="Search"> </div> </div> </form> </div> </div> <div class="row mt-3"> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Commenced</strong> in January 2007</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Frequency:</strong> Monthly</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Edition:</strong> International</div> </div> </div> <div class="col-sm-3"> <div class="card"> <div class="card-body"><strong>Paper Count:</strong> 3</div> </div> </div> </div> <h1 class="mt-3 mb-3 text-center" style="font-size:1.6rem;">Search results for: R. Khenata</h1> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">3</span> Structural and Electronic Properties of Cd0.75V0.25S Alloy</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=H.%20Baltache">H. Baltache</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20El%20Amine.%20Monir"> M. El Amine. Monir</a>, <a href="https://publications.waset.org/abstracts/search?q=R.%20Khenata"> R. Khenata</a>, <a href="https://publications.waset.org/abstracts/search?q=D.%20Rached"> D. Rached</a>, <a href="https://publications.waset.org/abstracts/search?q=T.%20Seddik"> T. Seddik</a> </p> <p class="card-text"><strong>Abstract:</strong></p> The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=first-principles%20calculations" title="first-principles calculations">first-principles calculations</a>, <a href="https://publications.waset.org/abstracts/search?q=structural%20properties" title=" structural properties"> structural properties</a>, <a href="https://publications.waset.org/abstracts/search?q=electronic%20properties" title=" electronic properties"> electronic properties</a> </p> <a href="https://publications.waset.org/abstracts/14046/structural-and-electronic-properties-of-cd075v025s-alloy" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/14046.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">365</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">2</span> Ab Initio Study of Structural, Elastic, Electronic and Thermal Properties of Full Heusler </h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=M.%20Khalfa">M. Khalfa</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Khachai"> H. Khachai</a>, <a href="https://publications.waset.org/abstracts/search?q=F.%20Chiker"> F. Chiker</a>, <a href="https://publications.waset.org/abstracts/search?q=K.%20Bougherara"> K. Bougherara</a>, <a href="https://publications.waset.org/abstracts/search?q=R.%20Khenata"> R. Khenata</a>, <a href="https://publications.waset.org/abstracts/search?q=G.%20Murtaza"> G. Murtaza</a>, <a href="https://publications.waset.org/abstracts/search?q=M.%20Harmel"> M. Harmel</a> </p> <p class="card-text"><strong>Abstract:</strong></p> A theoretical study of structural, elastic, electronic and thermodynamic properties of Fe2VX, (with X = Al and Ga), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbitals method. For exchange and correlation potential we used both generalized-gradient approximation (GGA) and local-density approximation (LDA). Our calculated ground state properties like as lattice constants, bulk modulus and elastic constants appear more accurate when we employed the GGA rather than the LDA approximation, and these results agree very well with the available experimental and theoretical data. Further, prediction of the thermal effects on some macroscopic properties of Fe2VAl and Fe2VGa are given in this paper using the quasi-harmonic Debye model in which the lattice vibrations are taken into account. We have obtained successfully the variations of the primitive cell volume, volume expansion coefficient, heat capacities and Debye temperature with pressure and temperature in the ranges of 0–40 GPa and 0–1500 K. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=full%20Heusler" title="full Heusler">full Heusler</a>, <a href="https://publications.waset.org/abstracts/search?q=FP-LAPW" title=" FP-LAPW"> FP-LAPW</a>, <a href="https://publications.waset.org/abstracts/search?q=electronic%20properties" title=" electronic properties"> electronic properties</a>, <a href="https://publications.waset.org/abstracts/search?q=thermal%20properties" title=" thermal properties"> thermal properties</a> </p> <a href="https://publications.waset.org/abstracts/14171/ab-initio-study-of-structural-elastic-electronic-and-thermal-properties-of-full-heusler" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/14171.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">494</span> </span> </div> </div> <div class="card paper-listing mb-3 mt-3"> <h5 class="card-header" style="font-size:.9rem"><span class="badge badge-info">1</span> Opto-Electronic Properties and Structural Phase Transition of Filled-Tetrahedral NaZnAs</h5> <div class="card-body"> <p class="card-text"><strong>Authors:</strong> <a href="https://publications.waset.org/abstracts/search?q=R.%20Khenata">R. Khenata</a>, <a href="https://publications.waset.org/abstracts/search?q=T.%20Djied"> T. Djied</a>, <a href="https://publications.waset.org/abstracts/search?q=R.%20Ahmed"> R. Ahmed</a>, <a href="https://publications.waset.org/abstracts/search?q=H.%20Baltache"> H. Baltache</a>, <a href="https://publications.waset.org/abstracts/search?q=S.%20Bin-Omran"> S. Bin-Omran</a>, <a href="https://publications.waset.org/abstracts/search?q=A.%20Bouhemadou"> A. Bouhemadou</a> </p> <p class="card-text"><strong>Abstract:</strong></p> We predict structural, phase transition as well as opto-electronic properties of the filled-tetrahedral (Nowotny-Juza) NaZnAs compound in this study. Calculations are carried out by employing the full potential (FP) linearized augmented plane wave (LAPW) plus local orbitals (lo) scheme developed within the structure of density functional theory (DFT). Exchange-correlation energy/potential (EXC/VXC) functional is treated using Perdew-Burke and Ernzerhof (PBE) parameterization for generalized gradient approximation (GGA). In addition to Trans-Blaha (TB) modified Becke-Johnson (mBJ) potential is incorporated to get better precision for optoelectronic properties. Geometry optimization is carried out to obtain the reliable results of the total energy as well as other structural parameters for each phase of NaZnAs compound. Order of the structural transitions as a function of pressure is found as: Cu2Sb type → β → α phase in our study. Our calculated electronic energy band structures for all structural phases at the level of PBE-GGA as well as mBJ potential point out; NaZnAs compound is a direct (Γ–Γ) band gap semiconductor material. However, as compared to PBE-GGA, mBJ potential approximation reproduces higher values of fundamental band gap. Regarding the optical properties, calculations of real and imaginary parts of the dielectric function, refractive index, reflectivity coefficient, absorption coefficient and energy loss-function spectra are performed over a photon energy ranging from 0.0 to 30.0 eV by polarizing incident radiation in parallel to both [100] and [001] crystalline directions. <p class="card-text"><strong>Keywords:</strong> <a href="https://publications.waset.org/abstracts/search?q=NaZnAs" title="NaZnAs">NaZnAs</a>, <a href="https://publications.waset.org/abstracts/search?q=FP-LAPW%2Blo" title=" FP-LAPW+lo"> FP-LAPW+lo</a>, <a href="https://publications.waset.org/abstracts/search?q=structural%20properties" title=" structural properties"> structural properties</a>, <a href="https://publications.waset.org/abstracts/search?q=phase%20transition" title=" phase transition"> phase transition</a>, <a href="https://publications.waset.org/abstracts/search?q=electronic%20band-structure" title=" electronic band-structure"> electronic band-structure</a>, <a href="https://publications.waset.org/abstracts/search?q=optical%20properties" title=" optical properties"> optical properties</a> </p> <a href="https://publications.waset.org/abstracts/14044/opto-electronic-properties-and-structural-phase-transition-of-filled-tetrahedral-naznas" class="btn btn-primary btn-sm">Procedia</a> <a href="https://publications.waset.org/abstracts/14044.pdf" target="_blank" class="btn btn-primary btn-sm">PDF</a> <span class="bg-info text-light px-1 py-1 float-right rounded"> Downloads <span class="badge badge-light">435</span> </span> </div> </div> </div> </main> <footer> <div id="infolinks" class="pt-3 pb-2"> <div class="container"> <div style="background-color:#f5f5f5;" class="p-3"> <div class="row"> <div class="col-md-2"> <ul class="list-unstyled"> About <li><a href="https://waset.org/page/support">About Us</a></li> <li><a href="https://waset.org/page/support#legal-information">Legal</a></li> <li><a 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Search results for: R. Khenata