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.
+ 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
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