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Modulation of the magnetic properties in zigzag-edge graphene nanoribbons by connection sites

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成果类型:
期刊论文
作者:
Deng, X. Q.*;Zhang, Z. H.*;Sun, L.;Wu, L. J.
通讯作者:
Deng, X. Q.;Zhang, Z. H.
作者机构:
[Deng, X. Q.; Zhang, Z. H.; Sun, L.; Wu, L. J.] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.
通讯机构:
[Deng, XQ; Zhang, ZH] C
Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410114, Hunan, Peoples R China.
语种:
英文
关键词:
Antiferromagnetism;Electrodes;Energy gap;Ferromagnetic materials;Ferromagnetism;Graphene;Ground state;Magnetic properties;Nanoribbons;Antiferromagnetic ground state;Antiferromagnetic state;Ferromagnetic state;First principles method;Graphene nano-ribbon;Graphene nanoribbons;Semiconductor behavior;Spin configurations;Semiconductor junctions
期刊:
Organic Electronics
ISSN:
1566-1199
年:
2017
卷:
41
页码:
376-383
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [61371065, 11674039]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [2015JJ3002, 2015JJ2009, 2015JJ2013]; Scientific Research Fund of Hunan Provincial Education DepartmentHunan Provincial Education Department [14A013, 15A004, 13ZA0089]; Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province; Scientific Research Innovation Fund for Postgraduate of Changsha University of Science and Technology
机构署名:
本校为第一且通讯机构
院系归属:
物理与电子科学学院
摘要:
Based on the first-principles method, the magnetic properties for zigzag–edge graphene nanoribbon (ZGNR) junctions are investigated. The results show the system had the ferromagnetic or antiferromagnetic ground state depending on the connection sites between ZGNR electrodes and the central ZGNR. The junction displays a metallic behavior when the central ZGNR is connected at the middle site of electrodes with a ferromagnetic state, but shows obvious spin semiconductor feature when the connection site is shifted to the edge of the ZGNR. For the ...

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