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题名: Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms
作者: Wang, ZG;  Qin, SJ;  Wang, CL
刊名: EUROPEAN PHYSICAL JOURNAL B
出版日期: 2014
卷号: 87, 期号:4, 页码:88
关键词: BAND-GAP
学科分类: Physics
DOI: 10.1140/epjb/e2014-40719-y
通讯作者: Wang, ZG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
部门归属: [Wang, Zongguo
英文摘要: Graphene has vast promising applications on the nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the Heyd-Scuseria-Ernzerhof 06 hybrid functional method, abbreviated as HSE06, the properties of semi-metal nitrogen-substitutional graphene are investigated. From our investigations, we conclude that introducing nitrogen doping would possibly perform the spin symmetry breaking, resulting energy degeneracy at some doping configurations. The spin symmetry breaking would cause spin-polarized effects, which induce magnetic response in graphene. This paper systematically analyzes the dependence of magnetic moments and band gaps in graphene on nitrogen-substitutional doping configurations.
资助者: [NNSF11121403]; [NNSF11147001]
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000334527400001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/15783
Appears in Collections:理论物理所2014年知识产出 _期刊论文

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Recommended Citation:
Wang, ZG,Qin, SJ,Wang, CL. Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms[J]. EUROPEAN PHYSICAL JOURNAL B,2014,87(4):88.
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