Structural, Electronic, and Optical Properties of SnBr2 Monolayer by Density Functional Approach

Abstract

The structural, electronic, and optical properties of the SnBr2 monolayer are examined by density functional theory (DFT). The projected augmented wave (PAW) is used to define a relation of interaction between the outermost electrons and ionic cores. The band structure of SnBr2 reveals that the material is a semiconductor having a wide band gap of 2.28 eV with PBE functional and 3.02 eV with HSE06 functional. The examination of its optical properties suggests that it demonstrates absorption in the electromagnetic spectrum’s ultraviolet regions. Hence, the SnBr2 monolayer is used for optoelectronic-nano devices and UV absorbers.