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 |
| DOI | 10.1016/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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