Investigation Optical Properties of the Orthorhombic System CsSnBr3-xIx: Application for Solar Cells and Optoelectronic Devices

Abstract

In this work, to study the optical properties of orthorhombic perovskites of the CsSnBr3-xIx system, spin-orbital and spin-polarized quantum chemical calculations were carried out in the framework of the density functional theory. The effects of electron exchange correlation were taken into account by the modified Becke-Jones exchange-correlation potential (mBJ). It has been established that with an increase in the iodine concentration, the absorption capacity and photoconductivity of these semiconductors increase. Other optical properties were also calculated, such as the real and imaginary parts of the dielectric function, refractive indices, energy loss spectrum, extinction coefficients, and reflection coefficients. The high absorption of these compounds in the infrared, visible and ultraviolet energy ranges allows the use of these perovskites in optical and optoelectronic devices operating in all spectral ranges by controlling and changing their content.