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Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms
Wang, ZG; Qin, SJ; Wang, CL; Wang, ZG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
2014
发表期刊EUROPEAN PHYSICAL JOURNAL B
ISSN1434-6028
卷号87期号:4页码:88
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.
部门归属[Wang, Zongguo
关键词Band-gap
学科领域Physics
资助者[NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001]
DOI10.1140/epjb/e2014-40719-y
URL查看原文
收录类别SCI
语种英语
资助者[NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001] ; [NNSF11121403]; [NNSF11147001]
WOS记录号WOS:000334527400001
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被引频次:9[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/15783
专题理论物理所SCI论文
通讯作者Wang, ZG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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GB/T 7714
Wang, ZG,Qin, SJ,Wang, CL,et al. Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms[J]. EUROPEAN PHYSICAL JOURNAL B,2014,87(4):88.
APA Wang, ZG,Qin, SJ,Wang, CL,&Wang, ZG .(2014).Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms.EUROPEAN PHYSICAL JOURNAL B,87(4),88.
MLA Wang, ZG,et al."Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms".EUROPEAN PHYSICAL JOURNAL B 87.4(2014):88.
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