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Native p-type transparent conductive CuI via intrinsic defects
Wang J; Li JB; Li SS; Li, JB (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China, jbli@semi.ac.cn
2011
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume110Issue:5Pages:54907
AbstractThe ability of CuI to be doped p-type via the introduction of native defects has been investigated using first-principles pseudopotential calculations based on density functional theory. The Cu vacancy has a lower formation energy than any of the other native defects, which include I vacancy (V(I)), Cu interstitial (Cu(i)), I interstitial (I(i)), Cu antisite (Cu(I)), and I antisite (I(Cu)). Combined with its shallow acceptor level, it offers sufficient hole concentrations in CuI. The natural band alignments as compared to zinc-blende ZnS, ZnSe, and ZnTe have also been calculated in order to further identify the p-type dopability of CuI. It is found that CuI has a relatively high valence band maximum and conduction band minimum, which also makes it easy to dope CuI p-type in terms of the doping limit rule. In addition, the small effective mass of the light hole-about 0.303m(0)-can provide high mobility and p-type conductivity in CuI. All of these results make CuI an ideal candidate for native p-type materials (C) 2011 American Institute of Physics. [doi:10.1063/1.3633220]
metadata_83半导体超晶格国家重点实验室
KeywordHybrid Electrochemical/chemical Synthesis Augmented-wave Method Copper Halides Band-structure Ii-vi Semiconductors Emission Diamond Cubr Cucl
Subject Area半导体物理
Indexed BySCI
Language英语
Date Available2012-01-06
Document Type期刊论文
Identifierhttp://ir.semi.ac.cn/handle/172111/22699
Collection半导体超晶格国家重点实验室
Corresponding AuthorLi, JB (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China, jbli@semi.ac.cn
Recommended Citation
GB/T 7714
Wang J,Li JB,Li SS,et al. Native p-type transparent conductive CuI via intrinsic defects[J]. JOURNAL OF APPLIED PHYSICS,2011,110(5):54907.
APA Wang J,Li JB,Li SS,&Li, JB .(2011).Native p-type transparent conductive CuI via intrinsic defects.JOURNAL OF APPLIED PHYSICS,110(5),54907.
MLA Wang J,et al."Native p-type transparent conductive CuI via intrinsic defects".JOURNAL OF APPLIED PHYSICS 110.5(2011):54907.
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