Density functional theory was used to investigate the unit structure of Sr2BTaO6 (B= Sb, Bi)
double perovskite oxides. The full‐potential linearized augmented plane wave technique is …

We report the structural, mechanical, electronic, optical, thermoelectric properties and
spectroscopic limited maximum efficiency (SLME) of oxide double perovskite structure Ba 2 …

Summary The cubic Sr2XNbO6 (X= La, Lu) double perovskite oxides (DPOs) have been
examined by density functional theory (DFT). Structural, elastic, electronic, thermoelectric …

The double perovskites (DPs) have recently been realized as emerging materials in the field
of optoelectronics owing to their remarkable and diverse electronic, optical, thermoelectric …

In this study, we have calculated the structural, mechanical, elastic anisotropy, electronic,
optical, and thermal properties of Ba3SbI3 perovskite using first-principles-based DFT …

First principle calculations are performed to investigate the electronic structure, structural
phase stability, optical properties and thermoelectric properties of double perovskite oxide …

In this study, we have investigated the properties of a new quadruple type perovskite, Ba 4
Bi 3 NaO 12, with a 3: 1 ratio on the B site using density functional theory and its …

In this paper, the structural formability, electronic, optical, and thermoelectric properties of Ba
2 XSbO 6 (X= Al, Ga) double perovskite oxides are investigated with density functional …

Double perovskites are considered to be outstanding materials for encountering the energy
crises faced by the world community. This article comprehensively addresses the electronic …

The structural, mechanical, electrical, optical, and thermoelectric characteristics of double
perovskites crystal structure with# 225 Fm3m space were studied using the Full Potential …