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

doi:10.1016/j.carbon.2017.11.005

IMECH-IR > 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, Yang; Ji, Jianlong; Shen, Zhizhong; Zhang, Qiang; Jian, Aoqun; Duan, Qianqian; Wang C(王超); Jiang, Jun; Zhang, Wendong; Sang, Shengbo
发表期刊	CARBON
	2018-02-01
卷号	127 页码:432-436
ISSN	0008-6223
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.
DOI	10.1016/j.carbon.2017.11.005
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000417484000049
关键词[WOS]	MOLECULAR-ORBITAL METHOD ; QUANTUM DOTS ; ROOM-TEMPERATURE ; ARMCHAIR EDGES ; NANORIBBONS ; ZIGZAG ; SPINTRONICS ; RIBBONS ; FUTURE ; SIZE
WOS研究方向	Chemistry ; Materials Science
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary
项目资助者	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)
论文分区	一类
力学所作者排名	5+
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/72229
专题	非线性力学国家重点实验室
推荐引用方式 GB/T 7714	Ge, Yang,Ji, Jianlong,Shen, Zhizhong,et al. First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake[J]. CARBON,2018,127:432-436.
APA	Ge, Yang.,Ji, Jianlong.,Shen, Zhizhong.,Zhang, Qiang.,Jian, Aoqun.,...&Sang, Shengbo.(2018).First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake.CARBON,127,432-436.
MLA	Ge, Yang,et al."First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake".CARBON 127(2018):432-436.