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 ...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 mechanicalelectric devices.展开更多
基金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)+2 种基金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)the Priority Academic Program Development of Jiangsu Higher Education Institutions
文摘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 mechanicalelectric devices.
