A comprehensive study of structural, electronic, elastic, and optical properties of the cubic
FrQCl 3 (Q= Ca, Sr) perovskite under pressure 0− 105 GPa has been considered …

This study aims to investigate the effects of incorporating cesium (Cs) and potassium (K) into
the crystal structure of Rb 2 SnBr 6. The structural, mechanical, and optoelectronic features …

This study aims to investigate the structural, mechanical, optical, electronic, and
thermoelectric properties of novel double perovskites Tl 2 GeCl 6 and Tl 2 GeBr 6. The …

Lead halide perovskites have distinct physiochemical properties and demonstrate
remarkable power conversion efficiency. We used density functional theory to investigate the …

In this study, we investigate the structural, optical, electronic, and thermoelectric properties of
FrSnI 3-x Fₓ (x= 0, 1, 2, 3) perovskites using density functional theory with the modified …

The lead-free germanium-based cubic perovskite LiGeX 3 (X= Cl, Br, and I) under pressure
shows potential as a promising candidate to rival traditional silicon-based perovskites for …

External pressure significantly alters the physical properties of inorganic halide perovskites,
providing the way for the mass production of several optoelectronic elements. This work …

In the field of optoelectronic applications, inorganic cubic halide perovskites have turned into
a leading choice for commercialization. The physical properties of cubic FrMI 3 (M= Ge, Sn) …

For the first time, first-principles investigations using density functional theory (DFT) were
thoroughly conducted on the structural, mechanical, optical, anisotropic, thermodynamic and …

This paper explores the various characteristics of the Li2Zr6MnCl15 chloroperovskites,
including their structural, electronic, magnetic, optical, phononic, and thermoelectric …