Ab initio study of structural, electronic and dynamical properties of MgAuSn

被引：0
|
作者：
Ugur, G. [1 ]
Arikan, N.
机构：
[1] Gazi Univ, Fen Edebiyat Fak, Fiz Bolumu, Ankara, Turkey
[2] Ahi Evran Univ, Egitim Fak, Fiz Egitimi Bolumu, Kirsehir, Turkey
来源：
EUROPEAN PHYSICAL JOURNAL B | 2007年 / 58卷 / 03期
关键词：
D O I：
10.1140/epjb/e2007-00226-0
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The structural and electronic properties of MgAuSn in the cubic AlLiSi structure have been studied, using density functional theory within the local density approximation. The calculated lattice constant for MgAuSn is found to be in good agreement with its experimental value. Our calculated electronic structure is also compared in detail with a recent tight-binding. A linear-response approach to density-functional theory is used to calculate the phonon spectrum and density of states for MgAuSn.
引用
收藏
页码：319 / 322
页数：4
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