Modeling and simulation of multifaceted properties of XNaIO (X = Ca and Sr) double perovskite oxides for advanced technological applications.

Context: In this study, the authors have investigated the structural, optoelectronic, thermoelectric, and thermodynamic properties of CaNaIO and SrNaIO double perovskite oxides. Both materials exhibit semiconductor behavior with direct band gaps (E) of 0.353 eV and 0.