Focusing on renewable energy device applications, we explored double perovskites K 2
AgAsX 6 (X= Cl, Br) halides for the first time. We used WIEN2k (all-electron method) and …

Double perovskite halides are probable renewable energy generation materials that are
believed to fulfill the requirements for solving energy scarcity problems. Therefore …

This article explores changes in the structural, electronic, elastic, and optical properties of
the novel cubic Sr 3 BCl 3 (B= As, Sb) with increasing pressure. This research aims to …

This article comprehensively investigates the changes in structural, mechanical, electronic,
and optical properties of a nontoxic cubic inorganic compound, RbCaBr3, under hydrostatic …

Density functional theory is utilized to explore the effects of hydrostatic pressure on the
structural, electrical, optical, and mechanical properties of cubic halide perovskite KCaCl3 …

The study of physical characteristics of lead-free double perovskites A2SnI6 (A= Cs, Rb) are
investigated via density functional theory. The mechanical conductions are satisfied by Born …

This study discusses the feasibility of diversifying the scope of application of lead-free Sr 3
ZBr 3 (Z= As, Sb) as promising materials for their enhanced electronic, mechanical, optical …

The ab initio calculations of structural, electronic, mechanical, and optical properties of
rubidium-based halide perovskites RbSnX3 (X= Cl, Br) have been performed under different …

We report structural, electronic, mechanical, optical, thermodynamic, and thermoelectric
properties of XCeO 3 (X= Mg, Ca, and Ba) perovskite using density functional theory as …

This study investigates the impact of hydrostatic pressure on the structural, electronic,
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …