闪锌矿Ga1-xAlxN电子结构和光吸收的第一性原理

李振勇; 王 梅; 苏希玉; 王亚超; 赵 伟

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闪锌矿Ga_1-xAl_xN电子结构和光吸收的第一性原理

论文 | 更新时间：2020-08-12

- 闪锌矿Ga_1-xAl_xN电子结构和光吸收的第一性原理
- First-principles Study on the Electron Structure and Light Absorption of the Blende Ga_1-xAl_xN Systems
- 发光学报 2010年31卷第4期页码：521-526
- 作者机构：
  
  1. 曲阜师范大学物理工程学院, 山东曲阜 273165
  2. 河南大学特种功能材料教育部重点实验室,河南开封,475004
- 作者简介：
- 基金信息：
  
  国家自然科学基金(10775088)资助项目()
- DOI：
  中图分类号： O472.3;O471.5
- 纸质出版日期：2010-8-27，
  
  网络出版日期：2010-8-27，
  
  收稿日期：2009-7-28，
  
  修回日期：2009-11-5，
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李振勇, 王梅, 苏希玉, 王亚超, 赵伟. 闪锌矿Ga1-xAlxN电子结构和光吸收的第一性原理[J]. 发光学报, 2010,31(4): 521-526

LI Zhen-yong, WANG Mei, SU Xi-yu, WANG Ya-chao, ZHAO Wei. First-principles Study on the Electron Structure and Light Absorption of the Blende Ga1-xAlxN Systems[J]. 发光学报, 2010,31(4): 521-526
李振勇, 王梅, 苏希玉, 王亚超, 赵伟. 闪锌矿Ga1-xAlxN电子结构和光吸收的第一性原理[J]. 发光学报, 2010,31(4): 521-526 DOI：

LI Zhen-yong, WANG Mei, SU Xi-yu, WANG Ya-chao, ZHAO Wei. First-principles Study on the Electron Structure and Light Absorption of the Blende Ga1-xAlxN Systems[J]. 发光学报, 2010,31(4): 521-526 DOI：

摘要

采用基于密度泛函理论的第一性原理平面波超软赝势法

计算了不同浓度Al(

0.125

0.250

0.375

0.500)掺杂闪锌矿GaN体系的电子结构和光学吸收谱。结果表明:Al掺杂导致系统的晶格常数减小

禁带宽度增大

吸收谱蓝移

可以达到日盲区紫外线探测器的要求。

Abstract

The electron structures and absorption spectra of aluminum-doped cubic GaN for different aluminum contents (

0.125

0.250

0.375

0.500) are calculated by the first-principles ultra-soft pseudo-potential plane wave approach based upon the density functional theory. It is showed that

for the doped systems

the lattice constants reduce

the band gaps broaden

and the absorption spectra shift to the blue region. Thus

the sun blind region ultraviolet detectors requirements could be met.

关键词

闪锌矿第一性原理电子结构吸收谱

Keywords

blende GaNfirst-principleselectron structureabsorption spectrum

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