Electronic and structural properties of zincblende AlxGa1-xN

被引：7
|
作者：
Liou, B. -T. [1 ]
机构：
[1] Hsiuping Inst Technol, Dept Mech Engn, Taichung 41283, Taiwan
来源：
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING | 2007年 / 86卷 / 04期
关键词：
D O I：
10.1007/s00339-006-3810-y
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Numerical calculations based on first-principles are applied to study the electronic and structural properties of zincblende AlxGa1-xN. The results show that the lattice constant has a very small deviation from the linear Vegard's law. The direct and indirect bowing parameters of 0.295 +/- 0.034 eV and -0.125 +/- 0.060 eV are obtained, respectively, and there is a direct-indirect crossover near x=0.692. Besides, the bulk moduli and their pressure derivatives are monotonically increased with an increase of the aluminum composition x. The deviation parameter of the bulk modulus of -5.32 +/- 1.60 GPa is obtained.
引用
收藏
页码：539 / 543
页数：5
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