Perovskite Progress

Abstract

The incorporation of strontium into Ba1-xSrxTiO3 compounds has a significant impact on their structural, electronic, optical, and mechanical properties. This study presents an analysis based on first principles calculations using density functional theory (DFT) to study the effects of strontium doping by varying Sr concentrations. The evolution of the structure, electronic band structures, optical and mechanical properties is examined to understand how Sr doping influences the fundamental characteristics of the material. The results highlight that Sr doping provides valuable information for tailored design of perovskite-type materials, thus optimizing their properties for various technological applications.