Open AccessMechanical and electronic properties of 2D black phosphorene nanoribbons: A first-principles study
Author(s) -
Miao Yu,
Lidong He
Publication year - 2021
Publication title -
iop conference series. earth and environmental science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 26
eISSN - 1755-1307
pISSN - 1755-1315
DOI - 10.1088/1755-1315/702/1/012022
Subject(s) - phosphorene , modulus , materials science , condensed matter physics , poisson's ratio , monolayer , young's modulus , band gap , strain (injury) , poisson distribution , nanotechnology , composite material , optoelectronics , physics , mathematics , statistics , medicine
The mechanical and electronic properties of black phosphorene nanoribbons are studied using the first-principles calculations. The armchair black phosphorene nanoribbons (APNR) are obtained and the atomic reconstruction is found at the edge of the nanoribbons. In addition, the strain field is applied on the nanoribbons, and its stress-strain curve, Young’s modulus, and Poisson’s ratio are calculating by stretching APNR. It is found that the Young’s modulus enhanced with the increase of nanoribbons width. It is significantly lower than the Young’s modulus of monolayer black phosphorene. On the contrary, the Poisson’s ratio hardly changes with the increase of nanoribbons width. Finally, it is found that the band gap of APNR decreases with the increase of nanoribbons width and increases monotonically with the increase of strain.