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	The origin of p-type conduction in li-n codoped zno: an ab initio calculation study
	Tang, Xin1,2,3; Cheng, Xiangfeng2; Wagner, Dustin4; Lue, Haifeng5; Zhang, Qingyu3
刊名	Journal of applied physics
	2011-07-01
卷号	110期号:1页码:5
ISSN号	0021-8979
DOI	10.1063/1.3606410
通讯作者	Cheng, xiangfeng(xtang@glite.edu.cn)
英文摘要	An ab initio calculation based on density functional theory is applied to study the new source of p-type conductivity in li-n codoped zno. the calculated results show that the interstitial li (li(i)) easily binds with the substitutional li defect at the zn site (li(zn)) and the substitutional n defect at the o site (n(o)). this induces the formation of li(i)-li(zn) and li(i)-n(o) passive complex. however, only li(i)-n(o) can introduce an impurity band above the valence band maximum of the pure zno and decrease the ionization energies of the relative complexes. the possible configurations of li(i)-n(o) combining with other additional acceptors li(zn) and n(o) are discussed. it is found that n(o)-li(i)-n(o) may be a possible source of p-type conductivity under zn-rich conditions. (c) 2011 american institute of physics. [doi:10.1063/1.3606410]
WOS关键词	TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; BASIS-SET ; II-VI ; SEMICONDUCTORS
WOS研究方向	Physics
WOS类目	Physics, Applied
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000292776500058
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2374135
专题	计算机网络信息中心
通讯作者	Cheng, Xiangfeng
作者单位	1.Guilin Univ Technol, Minist Educ, Key Lab New Proc Technol Nonferrous Met & Mat, Guilin 541004, Peoples R China 2.Guilin Univ Technol, Coll Mat Sci & Engn, Guilin 541004, Peoples R China 3.Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Elect Beams, Dalian 116024, Peoples R China 4.Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA 5.Chinese Acad Sci, Comp Network Informat Ctr, Beijing 10080, Peoples R China
推荐引用方式 GB/T 7714	Tang, Xin,Cheng, Xiangfeng,Wagner, Dustin,et al. The origin of p-type conduction in li-n codoped zno: an ab initio calculation study[J]. Journal of applied physics,2011,110(1):5.
APA	Tang, Xin,Cheng, Xiangfeng,Wagner, Dustin,Lue, Haifeng,&Zhang, Qingyu.(2011).The origin of p-type conduction in li-n codoped zno: an ab initio calculation study.Journal of applied physics,110(1),5.
MLA	Tang, Xin,et al."The origin of p-type conduction in li-n codoped zno: an ab initio calculation study".Journal of applied physics 110.1(2011):5.

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