Density functional theory study of the structural, electronic and optical properties of thestannate perovskite oxides, ASnO۳ (A = alkaline and alkaline earth elements)

Our research explored the effects of alkali and alkaline-earth metal substitutions in perovskite oxidecompounds. We investigated their electronic and optical properties using density functional theory calculations.Compounds with alkaline-earth metals exhibited suitable band gaps and optimal absorption in the visible lightrange, making them promising for photovoltaic applications.

کلیدواژه ها:

ASnO۳ ، Perovskite oxides ، Density functional theory ، Alkaline and Alkaline earth metals ، electronicand optical properties.