Structural and electronic properties of a single C chain doped zigzag BN nanoribbons

doi:10.1016/j.physleta.2014.01.028

	Structural and electronic properties of a single C chain doped zigzag BN nanoribbons
	Wu, Ping 1,3; Wang, Qianwen 1,3; Cao, Gengyu 1; Tang, Fuling 2; Huang, Min 1
刊名	PHYSICS LETTERS A
	2014-02-14
卷号	378 期号:10 页码:817-821
关键词	C chain doping Zigzag BN nanoribbon Density function theory (DFT) Electronic property
ISSN号	0375-9601
DOI	10.1016/j.physleta.2014.01.028
英文摘要	The effects of single C-chain on the stability, structural and electronic properties of zigzag BN nanoribbons (ZBNNRs) were investigated by first-principles calculations. C-chain was expected to dope at B-edge for all the ribbon widths N-z considered. The band gaps of C-chain doped N-z-ZBNNR are narrower than that of perfect ZBNNR due to new localized states induced by C-chain. The band gaps of N-z-ZBNNR-C(n) are direct except for the case of C-chain position n = 2. Band gaps of BN nanoribbons are tunable by C-chain and its position n, which may endow the potential applications of BNNR in electronics. (C) 2014 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[11164014] ; National Natural Science Foundation of China[51065014]
WOS研究方向	Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000331924900012
状态	已发表
内容类型	期刊论文
源URL	[http://119.78.100.223/handle/2XXMBERH/34450]
专题	材料科学与工程学院
通讯作者	Huang, Min
作者单位	1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Lanzhou Univ Technol, Dept Mat Sci & Engn, State Key Lab Gansu Adv Nonferrous Met Mat, Lanzhou 73005, Peoples R China 3.Univ Chinese Acad Sci, Beijing 10004, Peoples R China
推荐引用方式 GB/T 7714	Wu, Ping,Wang, Qianwen,Cao, Gengyu,et al. Structural and electronic properties of a single C chain doped zigzag BN nanoribbons[J]. PHYSICS LETTERS A,2014,378(10):817-821.
APA	Wu, Ping,Wang, Qianwen,Cao, Gengyu,Tang, Fuling,&Huang, Min.(2014).Structural and electronic properties of a single C chain doped zigzag BN nanoribbons.PHYSICS LETTERS A,378(10),817-821.
MLA	Wu, Ping,et al."Structural and electronic properties of a single C chain doped zigzag BN nanoribbons".PHYSICS LETTERS A 378.10(2014):817-821.