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

被引：199

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

页码：2475 / 2485

页数：11

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