Spin and band-gap engineering in copper-doped BN sheet

IMR OpenIR

	Spin and band-gap engineering in copper-doped BN sheet
	Y. G. Zhou; X. D. Jiang; G. Duan; F. Gao; X. T. Zu
	2010
发表期刊	Chemical Physics Letters
ISSN	0009-2614
卷号	491 期号:4-6 页码:203-207
摘要	We perform first-principles calculations on single- or dimer-Cu-absorbed-BN sheet. It was found that the band gap of BN sheet was reduced due to the emergence of certain impurity states arisen from Cu atom. The value of band gap depends on the adsorption configuration. Unpaired electron in absorbed single- Cu atom is polarized causing a magnetic moment of 1.0 mu(B), while no magnetic moment has been detected after dimer-Cu adsorption. Comparing the analogous carbon nanostructures, Cu-absorbed BN sheet is more resistant to oxidation and thereby is more experimentally accessible. (C) 2010 Elsevier B. V. All rights reserved.
部门归属	[zhou, y. g.; jiang, x. d.; duan, g.; zu, x. t.] univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china. [zhou, y. g.; zu, x. t.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. [jiang, x. d.; gao, f.] china acad engn phys, res ctr laser fus, mianyang 621900, peoples r china. [gao, f.] pacific nw natl lab, richland, wa 99352 usa.;zu, xt (reprint author), univ elect sci & technol china, dept appl phys, chengdu 610054, peoples r china;jiangxdong@163.com xiaotaozu@yahoo.com
关键词	Total-energy Calculations Wave Basis-set
URL	查看原文
WOS记录号	WOS:000277264500018
引用统计	被引频次：29[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/321006/31782
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. G. Zhou,X. D. Jiang,G. Duan,et al. Spin and band-gap engineering in copper-doped BN sheet[J]. Chemical Physics Letters,2010,491(4-6):203-207.
APA	Y. G. Zhou,X. D. Jiang,G. Duan,F. Gao,&X. T. Zu.(2010).Spin and band-gap engineering in copper-doped BN sheet.Chemical Physics Letters,491(4-6),203-207.
MLA	Y. G. Zhou,et al."Spin and band-gap engineering in copper-doped BN sheet".Chemical Physics Letters 491.4-6(2010):203-207.