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	First-principles study of magnetic properties in mo-doped graphene
	Kang, Jun; Deng, Hui-Xiong; Li, Shu-Shen; Li, Jingbo
刊名	Journal of physics-condensed matter
	2011-08-31
卷号	23期号:34页码:6
ISSN号	0953-8984
DOI	10.1088/0953-8984/23/34/346001
通讯作者	Li, jingbo(jbli@semi.ac.cn)
英文摘要	The geometric structure, electronic structure and magnetic properties of substitutionally mo-doped graphene are studied based on first-principles calculations. mo introduces a magnetic moment of 2 mu(b) in graphene. the magnetic properties and band structure can be well understood using a hybridization model. magnetic coupling between two mo impurities is also discussed. depending on the relative position of the two mo impurities, the ground state of the system can be ferromagnetic, antiferromagnetic or paramagnetic. a ruderman-kittel-kasuya-yosida (rkky)-like behavior is observed when the distance between mo atoms is relatively large. however, when the distance between mo atoms is rather small, the rkky model is not suitable to describe the magnetic ordering due to their non-neglectable direct interactions.
WOS关键词	1ST PRINCIPLES ; METAL ATOMS
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000294061500018
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2428206
专题	半导体研究所
通讯作者	Li, Jingbo
作者单位	Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China
推荐引用方式 GB/T 7714	Kang, Jun,Deng, Hui-Xiong,Li, Shu-Shen,et al. First-principles study of magnetic properties in mo-doped graphene[J]. Journal of physics-condensed matter,2011,23(34):6.
APA	Kang, Jun,Deng, Hui-Xiong,Li, Shu-Shen,&Li, Jingbo.(2011).First-principles study of magnetic properties in mo-doped graphene.Journal of physics-condensed matter,23(34),6.
MLA	Kang, Jun,et al."First-principles study of magnetic properties in mo-doped graphene".Journal of physics-condensed matter 23.34(2011):6.

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