First-principles calculations of the thermodynamic and structural properties of strained InxGa1-xN and AlxGa1-xN alloys

被引：197
|
作者：
Teles, LK [1 ]
Furthmüller, J
Scolfaro, LMR
Leite, JR
Bechstedt, F
机构：
[1] Univ Jena, Inst Festkorpertheorie & Theoret Opt, D-07743 Jena, Germany
[2] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil
来源：
PHYSICAL REVIEW B | 2000年 / 62卷 / 04期
关键词：
D O I：
10.1103/PhysRevB.62.2475
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present first-principles calculations of the thermodynamic and structural properties of cubic InxGa1-xN and AlxGa1-xN alloys. They an based on the generalized quasichemical approach to disorder and composition effects and a pseudopotential-plane-wave approximation for the total energy. The cluster treatment is generalized to study the influence of biaxial strain. We find a remarkable suppression of phase separation in InxGa1-xN.
引用
收藏
页码：2475 / 2485
页数：11
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