Electronic and optical properties of novel double perovskite compound Cs2RbInI6

Abstract

Novel energy materials grab the attention of researchers because of the huge demand for green energy sources. We have attempted to investigate the physical properties of such material which will be suitable for photovoltaic applications. Double perovskites of A2BB’X6 framework have been conspicuous materials by the virtue of their magnificent electronic and optical properties. We have computed the physical properties of Cs2RbInI6 double perovskite compound using the first principles method along with density functional theory (DFT). Complete computational analysis has been done within wien2k simulation code which is based on full potential linearized augmented plane wave method.