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Formation of shallow acceptors in zno doped by lithium with the addition of nitrogen

文献类型:期刊论文

作者Gai, Yanqin1; Tang, Gang1; Li, Jingbo2
刊名Journal of physics and chemistry of solids
出版日期2011-06-01
卷号72期号:6页码:725-729
关键词Semiconductors Ab initio calculations Defects Electronic structure
ISSN号0022-3697
DOI10.1016/j.jpcs.2011.03.002
通讯作者Gai, yanqin(yqgai@semi.ac.cn)
英文摘要We 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 n-o-li-zn complex proposed in experiments is unstable. while in the (li-i-n-o)-li-zn complex, where acceptor li-zn binds to the passivated (li-i-n-o) complex is stable and acts as a single acceptor. the activation energy of this complex is about 60 mev lower than that of li-zn in li-monodoped zno. the formation of inactive (li-i-n-o) 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 n-o(-) bind tightly through the coulomb interaction. such binding will suppress the amount of compensating donor li-i and limit the compensation for the desired acceptor li-zn. (c) 2011 elsevier ltd. all rights reserved.
WOS关键词P-TYPE ZNO ; INITIO MOLECULAR-DYNAMICS ; AUGMENTED-WAVE METHOD ; OPTICAL-PROPERTIES ; THIN-FILMS ; AB-INITIO ; LOW-RESISTIVITY ; CODOPING METHOD ; SEMICONDUCTORS ; DEPOSITION
WOS研究方向Chemistry ; Physics
WOS类目Chemistry, Multidisciplinary ; Physics, Condensed Matter
语种英语
WOS记录号WOS:000291915300021
出版者PERGAMON-ELSEVIER SCIENCE LTD
URI标识http://www.irgrid.ac.cn/handle/1471x/2428169
专题半导体研究所
通讯作者Gai, Yanqin
作者单位1.China Univ Min & Technol, Sch Sci, Dept Phys, Xuzhou 221008, Peoples R China
2.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China
推荐引用方式
GB/T 7714
Gai, Yanqin,Tang, Gang,Li, Jingbo. 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.(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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来源:半导体研究所

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