First-principle study of extrinsic defects in CuScO2 and CuYO2

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	First-principle study of extrinsic defects in CuScO2 and CuYO2
	Fang, ZJ ; Shi, LJ
刊名	physics letters a
	2008
卷号	372 期号:21 页码:3759-3762
关键词	CuMO2 doping VASP
ISSN号	0375-9601
通讯作者	fang, zj, chinese acad sci, inst semicond, state key lab superlattices & microstruct, pob 912, beijing 100083, peoples r china. 电子邮箱地址: nnfang@semi.ac.cn
中文摘要	using first-principles methods, we studied the extrinsic defects doping in transparent conducting oxides cumo2 (m=sc, y). we chose be, mg, ca, si, ge, sn as extrinsic defects to substitute for m and cu atoms. by systematically calculating the impurity formation energy and transition energy level, we find that be-cu is the most prominent extrinsic donor and ca-m is the prominent extrinsic acceptor. in addition, we find that mg atom substituting for sc is the most prominent extrinsic acceptor in cusco2. our calculation results are expected to be a guide for preparing n-type and p-type materials through extrinsic doping in cumo2 (m=sc, y). (c) 2008 elsevier b.v. all rights reserved.
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-03-08
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/6638]
专题	半导体研究所_中国科学院半导体研究所（2009年前）
推荐引用方式 GB/T 7714	Fang, ZJ,Shi, LJ. First-principle study of extrinsic defects in CuScO2 and CuYO2[J]. physics letters a,2008,372(21):3759-3762.
APA	Fang, ZJ,&Shi, LJ.(2008).First-principle study of extrinsic defects in CuScO2 and CuYO2.physics letters a,372(21),3759-3762.
MLA	Fang, ZJ,et al."First-principle study of extrinsic defects in CuScO2 and CuYO2".physics letters a 372.21(2008):3759-3762.