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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
2018-02-01
发表期刊CARBON
卷号127页码:432-436
ISSN0008-6223
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.
DOI10.1016/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+
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被引频次:3[WOS]   [WOS记录]     [WOS相关记录]
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
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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.
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