Structural, electronic and optical characteristics of inorganic cubic perovskite Sr3AsI3

Abstract

Inorganic perovskite materials have recently received significant consideration in the sector of solar technology because of their tremendous structural, optical, and electronic strengths. This research exhaustively inquired about the structural, optical, and electronic characteristics of the inorganic cubic perovskite Sr3AsI3 utilizing the first-principles density-functional theory (FP-DFT). The Sr3AsI3 molecule exhibits a direct bandgap of 1.265 eV value at Γ point. According to band characteristics, this component has a strong absorption capability in the region of visibility, as demonstrated by optical parameters including dielectric functions, absorption coefficient, reflectivity, and electron loss function. It is discovered that the spikes of the dielectric constant of Sr3AsI3 are visible in the photon energy range which are suitable for solar cells. As a result, the Sr3AsI3 perovskite is considered suitable for the application of energy production and light management in solar cells.