The chemical elements are the “conserved principles” or “kernels” of chemistry that are
retained when substances are altered. Comprehensive overviews of the chemistry of the …

Non-toxic metal halide perovskites have become forefront for commercialization of the
perovskite solar cells and optoelectronic devices. In the present study, for the first time we …

The objective of our study was to analyze the mechanical, magnetic, elastic, electrical, and
optical characteristics of the halide-based perovskite FrSnX 3 (X= Cl, Br, and I) at hydrostatic …

This study examines the physical properties of germanium-based halide perovskite through
Density Functional Theory (DFT) computations. The physical, optical, mechanical, and …

Using first-principles calculations based on density functional theory, this work investigated
the mechanical, magnetic, elastic, electrical, and optical characteristics of the halide-based …

Semiconductor behavior has emerged as a promising substance for numerous
advancements in natural energy production, storage, and conversion, as well as in medical …

In this research, the optical, thermodynamic, mechanical, structural, and electronic
properties of the rubidium niobate have been studied under the effect of pressure using first …

The present investigation aims to study the high-pressure dependence up to 65.2 GPa of the
bulk modulus, Vickers hardness, mass density, Grüneisen parameter, Debye temperature …

The high temperature phase of SrPd 2 Sb 2 polymorphs exhibits bulk superconductivity
below 0.6 K. The electron phonon coupling constant and density of states are two major …

This study carries out density functional theory (DFT)‐based simulation in order to observe
the effect of pressure (up to 120 GPa) on the various physical properties of boron (B) …