First-principles Calculation of Photo-absorption Spectra of Perovskite CsPbI₃ Semiconductors : Comparison to GaAs

Abstract

Electronic and optical properties of solar-cell perovskite semiconductors such as CsPbI₃ are studies by the first-principles calculations and compared with conventional solar-cell semiconductors like GaAs. It is shown that, although the band structure is quite different between CsPbI₃ and GaAs, the photo-absorption has similar spectra in visible-light region. The reason of such similarity is analyzed based on their electronic structures.