Opto-electronic properties of organic-inorganic Tin-based perovskite: A theoretical investigations

Abstract

Lead-free perovskite gained much more attention of researchers in the field of electronics and photovoltaics due to the toxicity issue of the lead-based perovskite. Using first principle approach based on density functional theory (DFT), the electronic and optical properties of methylammonium tin halide (MTH) perovskite ASnX3 (A = CH3NH3, X = Cl, Br, I) is calculated, the key material for optoelectronic applications, especially for solar cells. The halide contents control the electronic and optical characteristics of material such as orbitals, density of states and optical conductivity. We have identified orbitals consisting of valence and conduction band. Furthermore, the compound ASnI3 shows a suitable band gap than all others compound which makes him suitable candidate for solar cells application.