Structural and electronic properties of CdTe:Cl from first-principles

被引：17
|
作者：
Zhu, Huiping [1 ,2 ]
Gu, Mingqiang [1 ,2 ]
Huang, Lei [1 ,2 ]
Wang, Jianli [3 ]
Wu, Xiaoshan [1 ,2 ]
机构：
[1] Nanjing Univ, Solid State Microstruct Lab, Nanjing 210093, Jiangsu, Peoples R China
[2] Nanjing Univ, Sch Phys, Nanjing 210093, Jiangsu, Peoples R China
[3] China Univ Min & Technol, Dept Phys, Xuzhou 221116, Peoples R China
来源：
MATERIALS CHEMISTRY AND PHYSICS | 2014年 / 143卷 / 02期
关键词：
Semiconductors; Ab initio calculations; Defects; Electrical conductivity; SOLAR-CELLS; SEMICONDUCTORS; FABRICATION; GAN;
D O I：
10.1016/j.matchemphys.2013.09.046
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The structural and electronic properties of the dominant intrinsic defect of the Cd vacancy (V-Cd) and the Cl impurity in CdTe are studied using density functional theory. V-Cd is calculated to be a shallow double acceptor. Cl will substitute Te site (Cl-Te) and then act as a shallow donor in CdTe. Moreover, ClTe can bond with V-Cd, forming the defect complexes of Cl-Te-V-Cd. Cl-Te-V-Cd is a shallower acceptor than that of V-Cd. The defect complexes of (Cl-Te-V-Cd)(-1) can improve the p-doping behavior of CdTe. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码：637 / 641
页数：5
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