Tuning the energy gap of bilayer alpha-graphyne by applying strain and electric field. Chin. Phys. B 2016

Chin. Phys. B
Yang Hang, Wen-Zhi Wu, Jin Yu, and Wan-Lin Guo
DOI: 10.1088/1674-1056/25/2/023102
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

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.


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