Effect of covalency on high pressure phase transition and elastic behaviour of compound semiconductors: Gallium Pnictides and their alloys

被引：4
|
作者：
Sarwan, Madhu [1 ]
Singh, Sadhna [1 ]
机构：
[1] Barktullah Univ, Dept Phys, High Pressure Res Lab, Bhopal 462026, India
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2012年 / 58卷
关键词：
Alloys; Semiconductors; Crystal structure; Phase transition; EQUATION-OF-STATE; III-V; STRUCTURAL-PROPERTIES; GROUP-IV; CONSTANTS; GAAS; 1ST-PRINCIPLES; ZINCBLENDE; STABILITY; MECHANISM;
D O I：
10.1016/j.commatsci.2012.01.014
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present the results of our calculations on phase transition and elastic properties of Gallium Pnictides by taking three-body interaction potential model, which is modified by taking covalency effect. Phase transition pressures are associated with a sudden collapse in volume showing the occurrence of first order phase transition. The elastic constants are also reported. Our model is able to explain Cauchy violation. The present study is extended to Gallium Pnictide alloys GaPxAs1-x, GaAsxSb1-x and GaPxSb1-x by using Vegard's law. Our results are in general in good agreement with experimental and theoretical data where available. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：167 / 174
页数：8
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