Electronic Structure and Optical Absorption of Si-doped AlN System

CHENG Wei; HOU Qin-ying; SU Xi-yu; ZHI Xiao-fen; SI Pan-pan

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Electronic Structure and Optical Absorption of Si-doped AlN System

paper | 更新时间：2020-08-12

- Electronic Structure and Optical Absorption of Si-doped AlN System
- Chinese Journal of Luminescence Vol. 30, Issue 6, Pages: 802-806(2009)
- 作者机构：
  
  曲阜师范大学物理工程学院, 山东曲阜 273165
- 作者简介：
- 基金信息：
- DOI：
  CLC： O472.2;O481.1
- Received：19 January 2009，
  
  Revised：02 January 1900，
  
  Published Online：30 December 2009，
  
  Published：30 December 2009
- 稿件说明：
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CHENG Wei, HOU Qin-ying, SU Xi-yu, et al. Electronic Structure and Optical Absorption of Si-doped AlN System[J]. Chinese journal of luminescence, 2009, 30(6): 802-806.
DOI：

CHENG Wei, HOU Qin-ying, SU Xi-yu, et al. Electronic Structure and Optical Absorption of Si-doped AlN System[J]. Chinese journal of luminescence, 2009, 30(6): 802-806. DOI：

摘要

基于密度泛函理论第一性原理的平面波超软赝势法

研究了Si掺杂纤锌矿AlN的电子结构和光吸收性质。结果表明:杂质能级位于导带底附近

与Al 3p能级复合形成导带底

使系统发生Mott相变;Si掺杂后在2.02 eV附近出现新的吸收峰

从而改善系统在可见光区的吸收特性。

Abstract

Using the first-principles ultra-soft pseudo-potential approach of the plane wave based upon the density function theory

we studied the electronic structure and optical absorption of the Si-doped wurtzite AlN system. The obtained results showed that the impurity energy levels are located near the bottom of the conduction band of the host AlN

together with the Al 3p levels make the complex conduction band bottom

and a Mott phase transition takes place. With Si doping

a new absorption peak appears at about 2.02 eV

and thus the absorption property in the visible light range can be improved.

关键词

Keywords

references

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