Electronic and magnetic properties of single-layer graphene doped by nitrogen atoms

doi:10.1140/epjb/e2014-40719-y

ITP OpenIR > 理论物理所SCI论文

	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
ISSN	1434-6028
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]
DOI	10.1140/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
引用统计	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.
推荐引用方式 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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