The effect of C-Al (Ga) codoping on p-type tendency in zinc oxide by first-principles

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	The effect of C-Al (Ga) codoping on p-type tendency in zinc oxide by first-principles
	C. Y. Zuo; J. Wen; S. L. Zhu; C. Zhong
	2010
发表期刊	Optical Materials
ISSN	0925-3467
卷号	32 期号:5 页码:595-598
摘要	The electronic structures of C, C-Al and C-Ga doped ZnO were investigated from the first-principles based on density functional theory (DFT). It was found that the C-doped ZnO where 1/8 Os are substituted by C is p-type with hole carriers locating nearby valence band maximum. Moreover, the Madelung energy increases in this case. Incorporating the reactive donor Al or Ga into C-doped ZnO system at Zn sites, not only enhances the C acceptor concentration, but also gets a shallower C acceptor energy level in the band gap in p-type codoped ZnO crystals and decreases the Madelung energy. (c) 2009 Elsevier B.V. All rights reserved.
部门归属	[zuo, chunying; wen, jing] heilongjiang august first land reclamat univ, arts & sci dept, daqing 163319, peoples r china. [zhu, shenglong] chinese acad sci, inst met res, state key lab corros & protect, shenyang 110016, peoples r china. [zhong, cheng] wuhan univ, coll chem & mol sci, wuhan 430072, peoples r china.;zuo, cy (reprint author), heilongjiang august first land reclamat univ, arts & sci dept, daqing 163319, peoples r china;chunyingzuo@l26.com
关键词	Codoping First-principles Zno Electronic Structures Zno
URL	查看原文
WOS记录号	WOS:000275605600007
引用统计	被引频次：16[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31809
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. Y. Zuo,J. Wen,S. L. Zhu,et al. The effect of C-Al (Ga) codoping on p-type tendency in zinc oxide by first-principles[J]. Optical Materials,2010,32(5):595-598.
APA	C. Y. Zuo,J. Wen,S. L. Zhu,&C. Zhong.(2010).The effect of C-Al (Ga) codoping on p-type tendency in zinc oxide by first-principles.Optical Materials,32(5),595-598.
MLA	C. Y. Zuo,et al."The effect of C-Al (Ga) codoping on p-type tendency in zinc oxide by first-principles".Optical Materials 32.5(2010):595-598.