Piezoelectric coefficients of complex semiconductor alloys from first-principles:: The case of Ga1-xInxN -: art. no. 057601

被引：15

作者：

Al-Yacoub, A ^{[1
]}

Bellaiche, L

Wei, SH

机构：

[1] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA

[2] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

PHYSICAL REVIEW LETTERS | 2002年 / 89卷 / 05期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1103/PhysRevLett.89.057601

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A first-principles-derived scheme is developed to compute the piezoelectric coefficients e(i j) of semiconductor alloys. This method is applied to study the effect of atomic arrangement and composition on e(33) in wurtzite Ga In1- x N-x . Results obtained by this method for ordered structures are in good agreement with direct first-principles calculations. We predict that atomic ordering can have a large effect on piezoelectricity and that e(33) of disordered materials is nearly linear with composition. Microscopic origins for these features are revealed.

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页码：057601/1 / 057601/4

页数：4

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