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	N-doped zno nanowires: surface segregation, the effect of hydrogen passivation and applications in spintronics
	Xu, Hu2,3; Rosa, A. L.1; Frauenheim, Th.1; Zhang, R. Q.4,5
刊名	Physica status solidi b-basic solid state physics
	2010-09-01
卷号	247期号:9页码:2195-2201
关键词	Ii-vi semiconductors Density-functional theory Defect levels Spintronics
ISSN号	0370-1972
DOI	10.1002/pssb.201046059
通讯作者	Rosa, a. l.(darosa@bccms.uni-bremen.de)
英文摘要	We employ density-functional theory (dft) within the generalized-gradient approximation (gga) to investigate the formation energies, electronic structure, and magnetic properties of n impurities in zinc oxide (zno) nanowires. while the subsurface position is the preferential site for the n dopants in bare nanowires, upon hydrogen passivation n atoms segregate to surface sites. additionally we show that the defect levels in these ultra-thin wires are deeper than the ones in bulk zno, suggesting strong quantum dimensional effects. finally we investigate the possibility of ferromagnetism induced by n in zno nanowires. our spin-polarized calculations show that, although n introduces a small net magnetic moment in zno, the interaction between n dopants is weak and strongly dependent on the n position. (c) 2010 wiley-vch verlag gmbh & co. kgaa, weinheim
WOS关键词	P-TYPE ZNO ; SILICON NANOWIRES ; GAN NANOWIRES ; THIN-FILMS ; FERROMAGNETISM ; TEMPERATURE ; ENERGY ; SEMICONDUCTORS ; CONFINEMENT ; EPITAXY
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
语种	英语
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000282741400009
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2407996
专题	中国科学院大学
通讯作者	Rosa, A. L.
作者单位	1.Univ Bremen, BCCMS, D-28359 Bremen, Germany 2.Chinese Acad Sci, Grad Univ, Beijing 100080, Peoples R China 3.Chinese Acad Sci, Nanoorgan Photoelect Lab, Tech Inst Phys & Chem, Beijing 100190, Peoples R China 4.City Univ Hong Kong, COSDAF, Hong Kong, Hong Kong, Peoples R China 5.City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China
推荐引用方式 GB/T 7714	Xu, Hu,Rosa, A. L.,Frauenheim, Th.,et al. N-doped zno nanowires: surface segregation, the effect of hydrogen passivation and applications in spintronics[J]. Physica status solidi b-basic solid state physics,2010,247(9):2195-2201.
APA	Xu, Hu,Rosa, A. L.,Frauenheim, Th.,&Zhang, R. Q..(2010).N-doped zno nanowires: surface segregation, the effect of hydrogen passivation and applications in spintronics.Physica status solidi b-basic solid state physics,247(9),2195-2201.
MLA	Xu, Hu,et al."N-doped zno nanowires: surface segregation, the effect of hydrogen passivation and applications in spintronics".Physica status solidi b-basic solid state physics 247.9(2010):2195-2201.

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