Electronic and structural properties of zincblende AlxGa1-xN

被引：0
作者：
B.-T. Liou
机构：
[1] Hsiuping Institute of Technology,Department of Mechanical Engineering
来源：
Applied Physics A | 2007年 / 86卷
关键词：
Bulk Modulus; Local Density Approximation; Cutoff Energy; Pressure Derivative; Bulk Modulo;
D O I：
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中图分类号：
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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.
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页码：539 / 543
页数：4
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