Communications in Theoretical Physics, Volume (62), No (6), Year (2014-12) , Pages (903-908)

Title : ( A Comparative Study of the Electronic and Magnetic Properties of Gd5Ge4 and Gd5Si4 Compounds )

Authors: Z. Momeni Larimi , A. Amirabadizadeh , A. Yazdani , Hadi Arabi ,

Citation: BibTeX | EndNote

Abstract

We present a comparative study of electronic structure and magnetic properties of Gd5Si4 and Gd5Ge4 compounds using ¯rst principles full potential linearized augmented plane wave (FP-LAPW) method based on den-sity functional theory (DFT) using the WIEN2k code. The local-spin density approximation with correlation energy (LSDA+U) method has been used as the exchange-correlation potential. The optimized lattice constants are in good agreement with the experimental data. The total and partial density of states (DOS) of Gd5Si4 and Gd5Ge4 show the di®erence in Si 3p-Gd 5d and Ge 4p-Gd 5d hybridization, which have an e®ective role in indirect exchange interaction. In addition, the magnetic moments of Gd, Si, and Ge atoms and the compounds are calculated to clarify the di®erences in the magnetic properties of these compounds.

Keywords

, magnetocaloric compound, density functional theory, electronic and magnetic properties, ex- change interaction
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@article{paperid:1046635,
author = {Z. Momeni Larimi and A. Amirabadizadeh and A. Yazdani and Arabi, Hadi},
title = {A Comparative Study of the Electronic and Magnetic Properties of Gd5Ge4 and Gd5Si4 Compounds},
journal = {Communications in Theoretical Physics},
year = {2014},
volume = {62},
number = {6},
month = {December},
issn = {0253-6102},
pages = {903--908},
numpages = {5},
keywords = {magnetocaloric compound; density functional theory; electronic and magnetic properties; ex- change interaction},
}

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%0 Journal Article
%T A Comparative Study of the Electronic and Magnetic Properties of Gd5Ge4 and Gd5Si4 Compounds
%A Z. Momeni Larimi
%A A. Amirabadizadeh
%A A. Yazdani
%A Arabi, Hadi
%J Communications in Theoretical Physics
%@ 0253-6102
%D 2014

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