First principles study of wurtzite and zinc blende GaN: a comparison of the electronic and optical properties

被引：35

作者：

Li, ST

Ouyang, CY ^{[1
]}

机构：

[1] Jiang Xi Normal Univ, Key Lab Optelect Jiang Xi Province, Nanchang 330027, Peoples R China

[2] S China Normal Univ, Inst Optoelect Mat & Technol, Guangzhou 510631, Peoples R China

来源：

PHYSICS LETTERS A | 2005年 / 336卷 / 2-3期

关键词：

first principle; wurtzite GaN; zinc blende GaN; optical properties; electronic properties; external pressure;

D O I：

10.1016/j.physleta.2005.01.009

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electronic and optical properties of zinc blende and wurtzite structure GaN are studied from DFT based first principle calculations. The (partial) density of states (DOS) is calculated and differences between the zinc blende and wurtzite GaN are compared. Results show that the DOS around the Fermi level for the wurtzite structure is much lower than that of the zinc blende structure and results in a wider band gap. The complex refractive indexes and the absorption coefficients are calculated under normal and high external pressure. Results show that wurtzite GaN is more suitable for blue light emission material. (C) 2005 Elsevier B.V. All rights reserved.

引用

页码：145 / 151

页数：7

共 24 条

[1] SURFACE RECONSTRUCTIONS OF ZINCBLENDE GAN/GAAS(001) IN PLASMA-ASSISTED MOLECULAR-BEAM EPITAXY [J].