Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO

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	Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO
	M. Xu; H. Zhao; K. Ostrikov; M. Y. Duan; L. X. Xu
	2009
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	105 期号:4
摘要	This paper reports on ab initio numerical simulations of the effect of Co and Cu dopings on the electronic structure and optical properties of ZnO, pursued to develop diluted magnetic semiconductors vitally needed for spintronic applications. The simulations are based upon the Perdew-Burke-Enzerh generalized gradient approximation on the density functional theory. It is revealed that the electrons with energies close to the Fermi level effectively transfer only between Cu and Co ions which substitute Zn atoms, and are located in the neighbor sites connected by an O ion. The simulation results are consistent with the experimental observations that addition of Cu helps achieve stable ferromagnetism of Co-doped ZnO. It is shown that simultaneous insertion of Co and Cu atoms leads to smaller energy band gap, redshift of the optical absorption edge, as well as significant changes in the reflectivity, dielectric function, refractive index, and electron energy loss function of ZnO as compared to the doping with either Co or Cu atoms. These highly unusual optical properties are explained in terms of the computed electronic structure and are promising for the development of the next-generation room-temperature ferromagnetic semiconductors for future spintronic devices on the existing semiconductor micromanufacturing platform.
部门归属	[xu, m.; duan, m. y.; xu, l. x.] sichuan normal univ, inst solid state phys, lab low dimens struct phys, chengdu 610068, peoples r china. [xu, m.] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china. [zhao, h.] chongqing univ, dept phys, chongqing 400044, peoples r china. [zhao, h.] chongqing univ, inst condensed matter phys, coll math & phys, chongqing 400044, peoples r china. [ostrikov, k.] csiro mat sci & engn, lindfield, nsw 2070, australia.;xu, m (reprint author), sichuan normal univ, inst solid state phys, lab low dimens struct phys, chengdu 610068, peoples r china;hsuming_2001@yahoo.com.cn
关键词	Ab Initio Calculations Cobalt Copper Density Functional Theory Dielectric Function Electronic Structure Energy Gap Fermi Level Ferromagnetism Ii-vi Semiconductors Magnetoelectronics Red Shift Reflectivity Refractive Index Semiconductor Doping Semimagnetic Semiconductors Wide Band Gap Semiconductors Zinc Compounds Ferromagnetic Properties Magnetic Semiconductors Thin-films Doped Zno
URL	查看原文
WOS记录号	WOS:000263803300043
引用统计	被引频次：33[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/321006/32461
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	M. Xu,H. Zhao,K. Ostrikov,et al. Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO[J]. Journal of Applied Physics,2009,105(4).
APA	M. Xu,H. Zhao,K. Ostrikov,M. Y. Duan,&L. X. Xu.(2009).Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO.Journal of Applied Physics,105(4).
MLA	M. Xu,et al."Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO".Journal of Applied Physics 105.4(2009).