Structural and elastic properties of the filled tetrahedral semiconductors LiZnX (X = N, P, and As)

被引：37

作者：

Kalarasse, F ^{[1
]}

Bennecer, B ^{[1
]}

机构：

[1] Univ Gulema, Phys Lab Guelma, Fac Sci & Engn, Guelma 24000, Algeria

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2006年 / 67卷 / 04期

关键词：

semiconductors; ab initio calculations; elastic properties;

D O I：

10.1016/j.jpcs.2005.12.005

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We report on first-principles study of the structural and elastic properties of the Nowotny-Juza filled tetrahedral compounds LiZnX (X = N, P, As) using the full-potential linearized augmented plane wave method within the local density approximations. Our results indicate that the energetically favourable alpha-LiZnX materials are slightly softer than their binary analogous GaX and the sound speeds are quantitatively similar for LiZnAs and GaAs. (c) 2005 Elsevier Ltd. All rights reserved.

引用

页码：846 / 850

页数：5

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