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	Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping
	Xu, Zhuo; Yan, Qing-Bo; Zheng, Qing-Rong; Su, Gang
刊名	Physical review b
	2009-08-01
卷号	80期号:8页码:4
关键词	Ab initio calculations Dangling bonds Density functional theory Elemental semiconductors Ground states Nanowires Semiconductor doping Semiconductor quantum wires Silicon
ISSN号	1098-0121
DOI	10.1103/physrevb.80.081306
通讯作者	Su, gang(gsu@gucas.ac.cn)
英文摘要	By means of first-principles density functional theory calculations, we find that hydrogen-passivated ultrathin silicon nanowires (sinws) along the [100] direction with symmetrical multiple surface dangling bonds (sdbs) and boron doping can have a half-metallic ground state with 100% spin polarization, where the half-metallicity is shown to be quite robust against external electric fields. under the circumstances with various sdbs, the h-passivated sinws can also be ferromagnetic or antiferromagnetic semiconductors. the present study not only offers a possible route to engineer half-metallic sinws without containing magnetic atoms but also sheds light on manipulating spin-dependent properties of nanowires through surface passivation.
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000269639300016
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2402783
专题	中国科学院大学
通讯作者	Su, Gang
作者单位	Chinese Acad Sci, Grad Univ, Coll Phys Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Xu, Zhuo,Yan, Qing-Bo,Zheng, Qing-Rong,et al. Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping[J]. Physical review b,2009,80(8):4.
APA	Xu, Zhuo,Yan, Qing-Bo,Zheng, Qing-Rong,&Su, Gang.(2009).Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping.Physical review b,80(8),4.
MLA	Xu, Zhuo,et al."Half-metallic silicon nanowires: multiple surface dangling bonds and nonmagnetic doping".Physical review b 80.8(2009):4.

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