Temperature-induced changes in optical properties of cubic CH3NH3SnI3 using phonopy-FHI-aims

Abstract

This research explores how temperature influences the optical characteristics of Cubic Methylammonium Tin Iodide (CH3NH3SnI3), a material showing great promise for solar cell technology. The variations in the optical absorption coefficient, refractive index, extinction coefficient, reflectivity, and optical conductivity was examined over a range of temperatures and crystallographic orientations ([100], [010], [001]). The findings indicate that as temperature rises, there is a general decrease observed in the absorption coefficient, refractive index, extinction coefficient, and optical conductivity. Similarly, reflectivity also tends to decrease with increasing temperature. These findings suggest that Cubic CH3NH3SnI3 exhibits consistent transparency, a stable refractive index, and relatively high reflectivity across different temperature conditions. Its low optical conductivity, typical of semiconductor materials, indicates its suitability for facilitating efficient charge separation and transport within solar cells. This research significantly adds to our comprehension of the optical properties of CH3NH3SnI3, paving the way for its potential use in solar cell applications.