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
- 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
- 收稿：2009-07-28，
  
  修回：2009-11-5，
  
  网络首发：2010-08-27，
  
  纸质出版：2010-08-27
- 稿件说明：
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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

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references

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