First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake

doi:10.1016/j.carbon.2017.11.005

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake
	Ge Y; Ji JL; Shen ZZ; Zhang Q; Jian AQ; Duan QQ; Wang C(王超); Jiang J; Zhang WD; Sang SB
刊名	CARBON
	2018-02-01
卷号	127 页码:432-436
ISSN号	0008-6223
DOI	10.1016/j.carbon.2017.11.005
文献子类	Article
英文摘要	Fine-tuning magnetic states by understanding topological frustration inducing magnetic mechanism should allow greater flexibility for the design of graphene-based spintronics. Based on first-principles calculations, it is predicted that bowtie-shaped graphene nanoflake (GNF) is of spin-polarized ground state exhibiting antiferromagnetic (AFM) ordering between two individual triangular GNFs. It is demonstrated that strength of antiferromagnetic coupling of both symmetric and asymmetric bowtie-shaped GNF displays strong zero-energy-state-orientated behavior due to non-trivial nature of topological frustration, with implications for designing graphene nanostructures with predefined magnetic states. It also proposes a specific example of structures that can serve as nanoscale molecular logic gates composed by asymmetric bowtie-shaped GNFs units, which augment the special antiferromagnetic function through structural configuration of multi-bowtie-shaped GNFs. (C) 2017 Elsevier Ltd. All rights reserved.
分类号	一类
WOS关键词	MOLECULAR-ORBITAL METHOD ; QUANTUM DOTS ; ROOM-TEMPERATURE ; ARMCHAIR EDGES ; NANORIBBONS ; ZIGZAG ; SPINTRONICS ; RIBBONS ; FUTURE ; SIZE
WOS研究方向	Chemistry ; Materials Science
语种	英语
WOS记录号	WOS:000417484000049
资助机构	863 project(2015AA042601) ; National Science Foundation of China(51705354 ; Basic Research Project of Shanxi Province(2015021092) ; Graduate student education innovation project of Shanxi(2017SY062) ; 61471255 ; 61474079 ; 61501316 ; 51505324 ; 51622507)
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/72229]
专题	力学研究所_非线性力学国家重点实验室
推荐引用方式 GB/T 7714	Ge Y,Ji JL,Shen ZZ,et al. First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake[J]. CARBON,2018,127:432-436.
APA	Ge Y.,Ji JL.,Shen ZZ.,Zhang Q.,Jian AQ.,...&Sang SB.(2018).First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake.CARBON,127,432-436.
MLA	Ge Y,et al."First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake".CARBON 127(2018):432-436.