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
相关论文
共 50 条
  • [21] Structural and electronic properties of ZnSnAs2: A first-principles study by MGGA method
    Jafarova, V. N.
    PRAMANA-JOURNAL OF PHYSICS, 2022, 96 (04):
  • [22] A first-principles study of structural and electronic properties of Ga1-xAlxAs alloys
    Srivastava, R
    Yadav, PS
    Agrawal, S
    Agrawal, BK
    Kumar, S
    SOLID STATE COMMUNICATIONS, 2001, 118 (09) : 479 - 484
  • [23] Electronic properties of dilute-As InGaNAs alloys: A first-principles study
    Borovac, Damir
    Sung, Wei
    Tan, Chee-Keong
    Tansu, Nelson
    JOURNAL OF APPLIED PHYSICS, 2020, 127 (01)
  • [24] Structural stabilities and electronic and elastic properties of CdO: A first-principles study
    Feng, Wenxia
    Cui, Shouxin
    Hu, Haiquan
    Zhang, Guiqing
    Lv, Zengtao
    Gong, Zizheng
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2010, 247 (09): : 2202 - 2206
  • [25] First-Principles Study of Structural & Electronic Properties of Pyramidal Silicon Nanowire
    Jariwala, Pinank
    Singh, Deobrat
    Sonvane, Y. A.
    Gupta, Sanjeev K.
    Thakor, P. B.
    DAE SOLID STATE PHYSICS SYMPOSIUM 2015, 2016, 1731
  • [26] Structural, Electronic and Elastic Properties of ZnO and CdO: A First-Principles Study
    JemmyCinthia, A.
    Sudhapriyanga, G.
    Rajeswarapalanichamy, R.
    Santhosh, M.
    INTERNATIONAL CONFERENCE ON ADVANCES IN MANUFACTURING AND MATERIALS ENGINEERING (ICAMME 2014), 2014, 5 : 1034 - 1042
  • [27] First-principles study of structural and electronic properties of zincblende AlxIn1-xN
    Wang, Fei
    Li, S. F.
    Sun, Qiang
    Jia, Yu
    SOLID STATE SCIENCES, 2010, 12 (09) : 1641 - 1644
  • [28] Structural and electronic properties of RuN/GaN superlattices: a first-Principles study
    Ortega Lopez, C.
    Gonzalez-Hernandez, R.
    Arbey Rodriguez, J.
    REVISTA MEXICANA DE FISICA, 2012, 58 (01) : 41 - 45
  • [29] First-principles predictions on transition from tetrahedron to octahedron, electronic structures and elastic properties of InAs
    Hu Chenghua
    Wang Feng
    Xia Chuanhui
    Zhou Ping
    Shi Lingna
    Zhou Mu
    Zheng Zhou
    Liang Jianghua
    Zhou Xiaoshong
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2012, 73 (01) : 8 - 12
  • [30] First-principles investigations of structural, elastic and electronic properties of hydrous fayalite
    Lewei He
    Chuanyu Zhang
    Haiming Zhu
    Xiaodong Zeng
    Xiuxian Wang
    Weiyu Wu
    Wenqiang Zhou
    You Yu
    Arabian Journal of Geosciences, 2022, 15 (11)
12345