Strain induced phase transitions in silicene bilayers: a first principles and tight-binding study | Zendy

Chao Lian | Zendy; Jun Ni | Zendy

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Strain induced phase transitions in silicene bilayers: a first principles and tight-binding study

Author(s) -

Chao Lian,

Jun Ni

Publication year - 2013

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4804246

Subject(s) - silicene , bilayer , tight binding , stacking , materials science , condensed matter physics , phase (matter) , covalent bond , graphene , phase transition , crystallography , isotropy , strain (injury) , chemical physics , electronic structure , nanotechnology , chemistry , membrane , physics , biochemistry , organic chemistry , quantum mechanics , medicine

Using first principles and tight-binding calculations, we have investigated the structures of silicene bilayers under the isotropic tensile strain. We find that (i) the strain induce several barrierless phase transitions. (ii) After the phase transitions, the bilayer structures become planar, similar with the AA-stacking graphene bilayers, but combined with the strong covalent interlayer bonds. The tight-binding results demonstrate that this silicene bilayer is characterized by intralayer sp2 hybridization and the interlayer sp1 hybridization. (iii) The electronic properties of the silicene bilayers change from semiconducting to metallic with the increase of strain

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