Theoretical investigations on electronic and optical properties of rock-salt gallium nitride

被引：10

作者：

Chen, Z. W. ^{[1
]}

Lv, M. Y. ^{[1
]}

Li, L. X. ^{[1
]}

Wang, Q. ^{[1
]}

Zhang, X. Y. ^{[1
]}

Liu, R. P. ^{[1
]}

机构：

[1] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China

来源：

THIN SOLID FILMS | 2006年 / 515卷 / 04期

基金：

中国国家自然科学基金;

关键词：

electronic structure; optical properties; rock-salt phase; gallium nitride;

D O I：

10.1016/j.tsf.2006.06.005

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic and optical properties of rock-salt gallium nitride (GaN) have been investigated using the first principles method based on the plane-wave basis set. Analysis of band structure suggests that the rock-salt GaN is a middle gap indirect semiconductor with the conduction band minimum and the valence band maximum locating at X point and Sigma direction respectively. Within the screen-exchange local density approximation, the bandgap is predicted to be 1.83 eV. The optical properties including dielectric function, reflectivity, absorption and energy-loss function with some special features are obtained and analyzed. The calculated pressure coefficients of the indirect bandgaps at Gamma, X and L points are very small, with the value of the smallest indirect bandgap determined to be 26 meV/GPa. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：2433 / 2436

页数：4

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