Optical characteristic study of monolayer VS2 based on first-principles calculations

Abstract Monolayer VS 2 has two common stable phases, 2H-phase and 1T-phase. Based on first-principles calculations, we studied the optical properties of 2D-VS 2 , including their dielectric functions, absorption coefficients, refraction indexes and energy loss functions. Also, we fully analyzed the relationship between the electronic structure and the optical characteristics of 2D-VS 2 . We found that the differences of density of states are the fundamental reasons for the differences of the two phase optical absorption behavior.