Electro-Optical Properties of Cesium Lead Iodide: A Computational Approach.

Perovskite materials have accumulated considerable attention in recent years for their exceptional electro-optical properties, creating them rising candidates for various uses in the fields of photovoltaics, light-emitting devices, and beyond. Among these perovskite materials, CsPbI۳ stands out as a notable example due to its remarkable stability, tunable bandgap, and efficient light-emitting properties. The crystal structure, composition, and introductory properties of CsPbI۳ perovskite using density functional theorem (DFT) being focused. In detailed exploration of Electronic property, Elastic property, Optical property, Population analysis, and shedding light on the unique attributes of this material highlighted this study. To do above computation we have used CASTEP in Material Studio.

Keywords:

Density functional theory , Structural Properties , Electronic Properties , Optical Properties , Elasticity.