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Title:
First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake
Author: Ge, Yang; Ji, Jianlong; Shen, Zhizhong; Zhang, Qiang; Jian, Aoqun; Duan, Qianqian; Wang C(王超); Jiang, Jun; Zhang, Wendong; Sang, Shengbo
Source: CARBON
Issued Date: 2018-02-01
Volume: 127, Pages:432-436
Abstract: 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.
Language: 英语
Indexed Type: SCI ; EI
DOI: 10.1016/j.carbon.2017.11.005
DOC Type: Article
WOS Subject: Chemistry, Physical ; Materials Science, Multidisciplinary
WOS Subject Extended: Chemistry ; Materials Science
WOS Keyword Plus: MOLECULAR-ORBITAL METHOD ; QUANTUM DOTS ; ROOM-TEMPERATURE ; ARMCHAIR EDGES ; NANORIBBONS ; ZIGZAG ; SPINTRONICS ; RIBBONS ; FUTURE ; SIZE
WOS ID: WOS:000417484000049
ISSN: 0008-6223
Funder: 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)
Classification: 一类
Ranking: 5+
Citation statistics:
Content Type: 期刊论文
URI: http://dspace.imech.ac.cn/handle/311007/72229
Appears in Collections:非线性力学国家重点实验室_期刊论文

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Recommended Citation:
Ge, Yang,Ji, Jianlong,Shen, Zhizhong,et al. First principles study of magnetism induced by topological frustration of bowtie-shaped graphene nanoflake[J]. CARBON,2018-02-01,127:432-436.
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