Unifying description of the optical properties of InN from first principles

被引：6
|
作者：
Zaoui, A. [1 ]
Ferhat, M. [2 ]
机构：
[1] Univ Sci & Tech Lille Flandres Artois, Polytech Lille, LML, UMR 8107, F-59655 Villeneuve Dascq, France
[2] USTO, Dept Phys, Oran, Algeria
来源：
SOLID STATE COMMUNICATIONS | 2009年 / 149卷 / 7-8期
关键词：
Hexagonal InN; Ab initio; Relativistic effects; Optical properties; III-V NITRIDES; BAND-GAP; STRUCTURAL-PROPERTIES; HEXAGONAL INN; HIGH-PRESSURE; APPROXIMATION; ENERGY;
D O I：
10.1016/j.ssc.2008.11.027
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The optical properties of hexagonal InN have been studied using the all-electron approach based oil density functional theory (DFT). The full-potential augmented plane wave method is employed with two different exchange-correlation potentials, the Perdew-Wang (PW) and the Engel-Vosko (EV) approximations. In addition, both non-relativistic and relativistic approximations are considered. We found chat the PW and relativistic approximations give a metallic ground state; whereas using the EV and non-relativistic approximations a semiconductor phase is obtained, opening the gap up to 0.83 eV. Besides, the calculated interband transitions of the complex dielectric function up to 13 eV show favourable agreement with the recent spectroscopic ellipsometry results. (C) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：329 / 333
页数：5
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