Anisotropic optical properties induced by uniaxial strain of monolayer C₃N: a first-principles study.

ABSTRACT: The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C₃N under different strains are studied in this paper by using first-principles calculations. The applied strain includes in-layer biaxial strain and uniaxial strain. The monolayer C₃N is composed of a number of hexagonal C rings with N atoms connecting them. It is a stable indirect band gap 2D semiconductor when the strain is 0%. It could maintain indirect semiconductive character under different biaxial and uniaxial strains from ε = -10% to ε = 10%. As for its optical properties, when the uniaxial strain is applied, the absorption and reflectivity along the armchair and zigzag directions exhibit an anisotropic property. However, an isotropic

SUBMITTER: Chen QY 

PROVIDER: S-EPMC9063800 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature