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N-doped zno nanowires: surface segregation, the effect of hydrogen passivation and applications in spintronics

文献类型:期刊论文

作者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
出版日期2010-09-01
卷号247期号:9页码:2195-2201
ISSN号0370-1972
关键词Ii-vi semiconductors Density-functional theory Defect levels Spintronics
DOI10.1002/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
URI标识http://www.irgrid.ac.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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来源:中国科学院大学

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