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Formation of shallow acceptors in ZnO doped by lithium with the addition of nitrogen
Gai, Yanqin; Tang, Gang; Li, Jingbo; Gai, Y.(yqgai@semi.ac.cn)
2011
Source PublicationJournal of Physics and Chemistry of Solids
ISSN00223697
Volume72Issue:6Pages:725-729
AbstractWe performed first-principle total-energy calculations to investigate the mechanism for the realization of high quality p-type ZnO codoped with lithium and nitrogen. We find that the higher hole concentrations measured in the codoped ZnO is related to decreased ionization energy of acceptors and reduction of compensations. The dual acceptor NOLiZn complex proposed in experiments is unstable. While in the(LiIN O)LiZn complex, where acceptor LiZn binds to the passivated(LiINO) complex is stable and acts as a single acceptor. The activation energy of this complex is about60 meV lower than that of LiZn in Li-monodoped ZnO. The formation of inactive(LiINO) complexes creates a fully occupied impurity band just above the valence band maximum of ZnO. Thus Li atoms binding to this complex is activated by the electrons from the complex state rather than from the host states, accounting for decreased activation energy. Besides, Li I+ and NO- bind tightly through the Coulomb interaction. Such binding will suppress the amount of compensating donor LiI and limit the compensation for the desired acceptor Li Zn.?2011 Elsevier Ltd. All rights reserved.
metadata_83半导体超晶格国家重点实验室
KeywordActivation Energy Binding Energy Calculations Complexation Doping(Additives) Electronic Structure Zinc Zinc Oxide
Subject Area半导体物理
Indexed ByEI
Language英语
Date Available2012-06-14
Document Type期刊论文
Identifierhttp://ir.semi.ac.cn/handle/172111/23061
Collection半导体超晶格国家重点实验室
Corresponding AuthorGai, Y.(yqgai@semi.ac.cn)
Recommended Citation
GB/T 7714
Gai, Yanqin,Tang, Gang,Li, Jingbo,et al. Formation of shallow acceptors in ZnO doped by lithium with the addition of nitrogen[J]. Journal of Physics and Chemistry of Solids,2011,72(6):725-729.
APA Gai, Yanqin,Tang, Gang,Li, Jingbo,&Gai, Y..(2011).Formation of shallow acceptors in ZnO doped by lithium with the addition of nitrogen.Journal of Physics and Chemistry of Solids,72(6),725-729.
MLA Gai, Yanqin,et al."Formation of shallow acceptors in ZnO doped by lithium with the addition of nitrogen".Journal of Physics and Chemistry of Solids 72.6(2011):725-729.
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