Lattice dynamics study of bismuth III-V compounds

被引：35

作者：

Belabbes, A. ^{[1
]}

Zaoui, A. ^{[2
]}

Ferhat, M. ^{[1
]}

机构：

[1] Univ Sci & Technol Oran, Dept Phys, Oran, Algeria

[2] Univ Sci & Tech Lille Flandres Artois, LML UMR 8107, F-59655 Villeneuve Dascq, France

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2008年 / 20卷 / 41期

关键词：

D O I：

10.1088/0953-8984/20/41/415221

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present first-principles calculations of the structural and lattice-dynamical properties for cubic bismuth III-V compounds: BBi, AlBi and GaBi. The ground-state properties, i.e., the lattice constant and the bulk modulus, are calculated using a plane wave pseudopotential method within density functional theory. A linear-response approach to density functional theory is used to derive the phonon frequencies. The effect of pressure on the dynamical charges and the longitudinal optical-transverse optical splitting is also examined.

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页数：4

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