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 Y; Ji JL; Shen ZZ; Zhang Q; Jian AQ; Duan QQ; Wang C(王超); Jiang J; Zhang WD; Sang SB
Source PublicationCARBON
2018-02-01
Volume127Pages:432-436
ISSN0008-6223
AbstractFine-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
Indexed BySCI ; EI
Language英语
WOS IDWOS:000417484000049
WOS KeywordMOLECULAR-ORBITAL METHOD ; QUANTUM DOTS ; ROOM-TEMPERATURE ; ARMCHAIR EDGES ; NANORIBBONS ; ZIGZAG ; SPINTRONICS ; RIBBONS ; FUTURE ; SIZE
WOS Research AreaChemistry ; Materials Science
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary
Funding Organization863 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)
Classification一类
Ranking5+
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/72229
Collection非线性力学国家重点实验室
Recommended Citation
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.
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