Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations

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	Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations
	S. W. Fan; K. L. Yao; Z. G. Huang; J. Zhang; G. Y. Gao; G. H. Du
	2009
发表期刊	Chemical Physics Letters
ISSN	0009-2614
卷号	482 期号:1-3 页码:62-65
摘要	The magnetism and the electronic structures of Ti-doped AlN are studied by the first-principles calculations. It is found that Ti prefers to substitute Al site in AlN host, and this doped configuration favors the ferromagnetic ground state. The magnetic moment of the supercell containing single Ti(Al) is 1.00 mu B. Electronic structures suggest magnetic moments mainly come from the doped Ti atom, Ti-doped AlN is n-type ferromagnetic semiconductor and the ferromagnetism can be explained by double-exchange mechanism. For O and Ti co-doped AlN, calculations show O(N) defect would induce magnetic moments increasing and change Ti-doped AlN from semiconductor to metal. Crown Copyright (C) 2009 Published by Elsevier B. V. All rights reserved.
部门归属	[fan, s. w.; yao, k. l.; zhang, j.; gao, g. y.; du, g. h.] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [huang, z. g.] fujian normal univ, dept phys, fuzhou 350007, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;yao, kl (reprint author), huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china;klyao@mail.hust.edu.cn
关键词	Room-temperature Gan
URL	查看原文
WOS记录号	WOS:000271264600011
引用统计	被引频次：28[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/321006/31884
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. W. Fan,K. L. Yao,Z. G. Huang,et al. Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations[J]. Chemical Physics Letters,2009,482(1-3):62-65.
APA	S. W. Fan,K. L. Yao,Z. G. Huang,J. Zhang,G. Y. Gao,&G. H. Du.(2009).Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations.Chemical Physics Letters,482(1-3),62-65.
MLA	S. W. Fan,et al."Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations".Chemical Physics Letters 482.1-3(2009):62-65.