Structural and electronic properties of zinc blende BxGa1-xN nitrides

被引：29
|
作者：
Riane, R. [2 ]
Boussahl, Z. [2 ]
Zaoui, A. [2 ]
Hammerelaine, L. [3 ]
Matar, S. F. [1 ]
机构：
[1] Univ Bordeaux, ICMCB, CNRS, F-33600 Pessac, France
[2] Modeling & Simulat Lab Sidi Belabes, Sidi Belabes 22000, Algeria
[3] Univ Laghouat, LSF, Laghouat 03, Algeria
来源：
SOLID STATE SCIENCES | 2009年 / 11卷 / 01期
关键词：
DFT; Wide gap semiconductors; FP-LAPW; X-RAY-SPECTRA; ALN; CRYSTALS; BN;
D O I：
10.1016/j.solidstatesciences.2008.06.001
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
First principles total energy calculations were carried out to investigate structural and electronic properties of zinc blende GaN, BN and BxGa1-xN solid solutions. We have calculated lattice parameters, bulk modulus, pressure derivative and BxGa1-xN band gap energy for zinc blende-type crystals of the compositions x = 0, 0.25, 0.5, 0.75, 1. Discussions will be given in comparison with results obtained with other available theoretical and experimental results. (C) 2008 Elsevier Masson SAS. All rights reserved.
引用
收藏
页码：200 / 206
页数：7
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