Induced ferromagnetism in one-side semihydrogenated silicene and germanene

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	Induced ferromagnetism in one-side semihydrogenated silicene and germanene
	Wang, XQ ; Li, HD ; Wang, JT
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2012
卷号	14 期号:9 页码:3031
关键词	AUGMENTED-WAVE METHOD KLEIN PARADOX GRAPHENE NANOSHEETS
ISSN号	1463-9076
通讯作者	Wang, XQ: Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
中文摘要	The intriguing electronic and magnetic properties of one-side semihydrogenated silicene and germanene are investigated by means of first-principles calculations. Both one-side semihydrogenated silicene and germanene are confirmed as dynamically stable in the ground state based on phonon-mode analysis. Moreover, we find that semihydrogenation from only one side causes localized and unpaired 3p (4p) electrons in the unhydrogenated Si (Ge) sites and then introduces ferromagnetism to silicene (germanene) sheet with no need for doping, cutting, or etching. One-side semihydrogenated silicene and germanene are both identified as semiconductors with direct energy gaps: their gap values obtained from the HSE06 functional are estimated to be 1.74 eV and 1.32 eV, much greater than the PBE-GGA results of 0.94 eV and 0.41 eV, respectively. From pristine to one-side semihydrogenated and then to fully hydrogenated systems, silicene and germanene change from metallic to magnetic semiconducting and then to nonmagnetic semiconducting. The hydrogenation process provides a novel method to tune the properties of silicene and germanene with unprecedented potentials for future nanoelectronics.
收录类别	SCI
资助信息	NSFC of China [10974230]; Ministry of environmental protection of China [200909086, 201109037]
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/39768]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Wang, XQ,Li, HD,Wang, JT. Induced ferromagnetism in one-side semihydrogenated silicene and germanene[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2012,14(9):3031.
APA	Wang, XQ,Li, HD,&Wang, JT.(2012).Induced ferromagnetism in one-side semihydrogenated silicene and germanene.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,14(9),3031.
MLA	Wang, XQ,et al."Induced ferromagnetism in one-side semihydrogenated silicene and germanene".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14.9(2012):3031.