First-principles study of the electronic and optical properties of zincblende zinc selenide

被引：30
|
作者：
Okoye, CMI [1 ]
机构：
[1] Univ Nigeria, Dept Phys & Astron, Nsukka, Nigeria
来源：
PHYSICA B-CONDENSED MATTER | 2003年 / 337卷 / 1-4期
关键词：
electronic structure; optical properties; full potential linearized augmented plane wave method; local density approximation; generalized gradient approximation;
D O I：
10.1016/S0921-4526(03)00175-3
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We present the results of an ab initio theoretical study of the electronic and optical properties of zinc selenide (ZnSe) with zincblende structure performed using the full potential linearized augmented plane wave (FP-LAPW) method. Our calculated results are in good agreement with recent experimental measurements. The optical spectra are analyzed and origin of some of the peaks in the spectra are discussed in terms of the calculated electronic structure. (C) 2003 Published by Elsevier Science B.V.
引用
收藏
页码：1 / 9
页数：9
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