First-Principles Electronic Structure of Cu+ Luminescence Centers in Cu-Doped ZnS
ZHANG Zhi-peng, SHEN Yao-wen, HUANG Mei-chun
Department of Physics, Xiamen University, Xiamen 361005
First-Principles Electronic Structure of Cu+ Luminescence Centers in Cu-Doped ZnS
ZHANG Zhi-peng;SHEN Yao-wen;HUANG Mei-chun
Department of Physics, Xiamen University, Xiamen 361005
关键词 :
71.55 -i ,
61.72.Vv ,
71.25.Tn
Abstract : The electronic structures of various Cu+ luminescence centers in wurtzite ZnS are studied by using first-principles linear muffin-tin-orbital method combining atomic sphere approximation. The results for ZnS:Cu:Cl and ZnS:Cu:Al show that Cu acceptor states are anomalously deep (beyond 2.7eV above the top of valence band) and located near the bottom of conduction band in these two cases. On the other hand, the results for ZnS:Cu with sulfur vacancies manifest that the Cu+ center is an associated center, whose Cu d-like states are situated above the top of valence band.
Key words :
71.55 -i
61.72.Vv
71.25.Tn
出版日期: 1998-08-01
引用本文:
ZHANG Zhi-peng;SHEN Yao-wen;HUANG Mei-chun. First-Principles Electronic Structure of Cu+ Luminescence Centers in Cu-Doped ZnS[J]. 中国物理快报, 1998, 15(8): 591-593.
ZHANG Zhi-peng, SHEN Yao-wen, HUANG Mei-chun. First-Principles Electronic Structure of Cu+ Luminescence Centers in Cu-Doped ZnS. Chin. Phys. Lett., 1998, 15(8): 591-593.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y1998/V15/I8/591
[1]
WANG Bao-Zhu;WANG Xiao-Liang;HU Guo-Xin;RAN Jun-Xue;WANG Xin-Hua;GUO Lun-Chun;XIAO Hong-Ling;LI Jian-Ping;ZENG Yi-Ping;LI Jin-Min;WANG Zhan-Guo. Growth and Annealing Study of Mg-Doped AlGaN and GaN/AlGaN Superlattices [J]. 中国物理快报, 2006, 23(8): 2187-2189.
[2]
BI Hong;;CHEN Qian-Wang;YOU Feng-Yong;ZHOU Xiao-Li. A Chemical Synthesis of Ferromagnetic Zn0.99 Co0.01 O Nano-Needles [J]. 中国物理快报, 2006, 23(7): 1907-1910.
[3]
ZHAO Jie;CHEN Jie;WANG Yong-Chen;HAN De-Jun. Implant Depth Influence on InGaAsP/InP Double Quantum Well Intermixing Induced by Phosphorus Ion Implantation [J]. 中国物理快报, 2006, 23(4): 919-921.
[4]
PAN Yao-Bo;YANG Zhi-Jian;LU Yu;LU Min;HU Cheng-Yu;YU Tong-Jun;HU Xiao-Dong;ZHANG Guo-Yi. Improvement of Properties of p-GaN by Mg Delta Doping [J]. 中国物理快报, 2004, 21(10): 2016-2018.
[5]
YAO Shu-De;ZHOU Sheng-Qiang;YANG Zi-Jian;LU Yi-Hong;SUN Chang-Chun;SUN Chang;ZHANG Guo-Yi;VANTOMME Andre;PIPELEERS Bert;ZHAO Qiang. P-Type Doping of GaN by Mg+ Implantation [J]. 中国物理快报, 2003, 20(1): 102-104.
[6]
LIU Pi-Jun;XIA Yue-Yuan;LIU Xiang-Dong;YUAN Feng-Po;PAN Jiao-Qing;XUE Cheng-Shan;LI Yu-Guo;ZHAO Ming-Wen;MA Yu-Chen
. Lattice Strain Induced by Ion Implantation in AlGaAs/AlGaInAs Quantum Well Samples [J]. 中国物理快报, 2002, 19(4): 599-601.
[7]
LÜJian-Guo;YE Zhi-Zhen;WANG Lei;ZHAO Bing-Hui;HUANG Jing-Yun. Preparation and Properties of N-Doped p-Type ZnO Films by Solid-Source Chemical Vapor Deposition with the c-Axis Parallel to the Substrate [J]. 中国物理快报, 2002, 19(10): 1494-1497.
[8]
REN Tian-ling;ZHU Jia-lin;XIONG Jia-jiong;DUAN Wen-hui;WANG Fu-he. Cluster Model for p-Type Doping of ZnSe [J]. 中国物理快报, 1997, 14(7): 528-530.
[9]
ZHANG Hai-feng;WANG Chong-yu;FANG Rong-chuan;BAN Da-yan;LI Yong-ping. Interface Electronic Structure of Ge/ZnSe( 111) [J]. 中国物理快报, 1997, 14(2): 128-130.
[10]
ZHENG Jin-cheng;WANG Ren-zhi;ZHENG Yong-mei;CAI Shu-hui. Valence Offsets of Three Series of Alloy Heterojunctions [J]. 中国物理快报, 1997, 14(10): 775-777.
[11]
LI Kai-hang;HUANG Mei-chun;WANG Ren-zhi. Band Offset and Optical Property of (ZnS)n /(Si2 )n (110) Superlattice [J]. 中国物理快报, 1996, 13(6): 458-460.
[12]
KE San-huang;ZHANG Kai-ming;XIE Xi-de. Band Gap Behaviors of (α-GaN) / (α-AIN) Superlattice and (β-GaN)/(β- A1N) Superlattice [J]. 中国物理快报, 1996, 13(10): 786-789.
[13]
GU Gang;ZANG Wencheng;ZENG Hao;CHEN Geng;DU Youwei;ZHENG Yibin*;ZHANG Shuyi*. Photoacoustic Spectroscopy Measurement of C60 Thin Film [J]. 中国物理快报, 1994, 11(2): 102-104.
[14]
ZHAO Jie;WANG Yongchen. Photoluminescence Study on InGaAs/InP MQW Structure with F+ , Ne+ -Implant Induced Compositional Disordering. [J]. 中国物理快报, 1994, 11(11): 713-716.
[15]
KE Sanhuang;HUANG Meichun;WANG Renzhi. Electronic Structures of Wurtzite Compounds GaN, AlN and
Strained-Layer Superlattice (Ga2 N2 )1 (A12 N2 )1 (001)
[J]. 中国物理快报, 1993, 10(12): 748-751.