中国物理B ›› 2016, Vol. 25 ›› Issue (2): 23102-023102.doi: 10.1088/1674-1056/25/2/023102

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Tuning the energy gap of bilayer α -graphyne by applying strain and electric field

Yang Hang(杭阳), Wen-Zhi Wu(吴文志), Jin Yu(于进), Wan-Lin Guo(郭万林)   

  1. State Key Laboratory of Mechanics and Control of Mechanical Structures, Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China
  • 收稿日期:2015-09-16 修回日期:2015-10-01 出版日期:2016-02-05 发布日期:2016-02-05
  • 通讯作者: Wan-Lin Guo E-mail:wlguo@nuaa.edu.cn
  • 基金资助:
    Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB932604 and 2012CB933403), the National Natural Science Foundation of China (Grant Nos. 51472117 and 51535005), the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures, China (Grant No. 0414K01), the Nanjing University of Aeronautics and Astronautics (NUAA) Fundamental Research Funds, China (Grant No. NP2015203), and the Priority Academic Program Development of Jiangsu Higher Education Institutions.

Tuning the energy gap of bilayer α -graphyne by applying strain and electric field

Yang Hang(杭阳), Wen-Zhi Wu(吴文志), Jin Yu(于进), Wan-Lin Guo(郭万林)   

  1. State Key Laboratory of Mechanics and Control of Mechanical Structures, Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China
  • Received:2015-09-16 Revised:2015-10-01 Online:2016-02-05 Published:2016-02-05
  • Contact: Wan-Lin Guo E-mail:wlguo@nuaa.edu.cn
  • Supported by:
    Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB932604 and 2012CB933403), the National Natural Science Foundation of China (Grant Nos. 51472117 and 51535005), the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures, China (Grant No. 0414K01), the Nanjing University of Aeronautics and Astronautics (NUAA) Fundamental Research Funds, China (Grant No. NP2015203), and the Priority Academic Program Development of Jiangsu Higher Education Institutions.

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摘要： Our density functional theory calculations show that the energy gap of bilayer α -graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α -graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α -graphynes. These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanical-electric devices.

关键词: band gap, bilayer α -graphyne, electric fields, strain

Abstract: Our density functional theory calculations show that the energy gap of bilayer α -graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α -graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α -graphynes. These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanical-electric devices.

Key words: band gap, bilayer α -graphyne, electric fields, strain

中图分类号:  (Applications of density-functional theory (e.g., to electronic structure and stability; defect formation; dielectric properties, susceptibilities; viscoelastic coefficients; Rydberg transition frequencies))

  • 31.15.es
73.22.-f (Electronic structure of nanoscale materials and related systems) 73.20.At (Surface states, band structure, electron density of states) 73.21.Ac (Multilayers)