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 field of photocatalysis has demonstrated numerous advantages in the domains of
environmental protection, energy, and materials science. However, conventional …

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 …

Throughout this study, the effects of hydrostatic pressure on the physical properties of halide
perovskite CsCaBr 3 are explored using the density functional theory. The calculated lattice …

Intending to advance the use of halide-perovskites in technological applications, in this
research, we investigate the structural, electronic, optical, and mechanical behavior of metal …

The physical properties of the ferromagnetic oxide perovskites MSn2Br5 (M= K, Cs) were
thoroughly examined using the GGA+ PBE formalism of density functional theory. The …

Abstract New (1-x) Bi0. 5Na0. 5TiO3+ x CaFeO3-δ solid solution compounds were
fabricated using a sol–gel method. The CaFeO3-δ materials were mixed into host Bi0. 5Na0 …

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 …

Metal halide semiconductors have great potential for real-life photovoltaic applications;
however, surface defects induce several challenges to thermodynamic stability. Here, we …

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 …