International Journal of Modern Physics B | 2019
Ab initio investigation of the optical properties of layered MoSxSe(2−x) (0 ≤ x ≤ 2): By GGA and mBJ approaches
Abstract
Based on the density functional theory (DFT) and using the generalized gradient approximation (GGA) and GGA-mBJ approximations, the electronic and optical properties of the bulk and mono-layer Moly...