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Effect of inplane strain on the electronic structure of mono‐ and bilayer black phosphorus
Author(s) -
Guan Lixiu,
Tao Junguang
Publication year - 2016
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201600089
Subject(s) - phosphorene , zigzag , van der waals force , bilayer , materials science , condensed matter physics , monolayer , black phosphorus , density functional theory , electronic structure , anisotropy , strain (injury) , semiconductor , nanotechnology , chemistry , computational chemistry , optoelectronics , physics , quantum mechanics , molecule , medicine , biochemistry , geometry , mathematics , organic chemistry , membrane
Based on density‐functional theory calculations, the electronic properties of the monolayer (ML) and bilayer (BL) phosphorous can be tuned with inplane strains. The semiconductor to metallic transition can only be obtained for the inplane tensile strain applied along the armchair direction. This shows that both van der Waals forces and electron wave function overlap affect the electronic‐structure tunability in a delicate way. The anisotropic behaviors along the zigzag and armchair directions are discussed. In addition to the band‐nature change, the electron‐transport properties are expected to be altered, which is of importance for further fundamental research in phosphorene‐based electronic devices.