This study presents a detailed investigation into optimizing the novel perovskite Mg 3 AsBr 3
through uniaxial stress for enhanced performance in solar and optoelectronic applications …

This study provides an in-depth investigation into the structural, electronic, mechanical, and
optical properties of Sr₃PnCl₃ (Pn= P, As, Sb) halide perovskites using QuantumATK tool …

This study employs first-principles calculations based on Density Functional Theory (DFT),
implemented in the Wien2k code, to investigate the structural, electronic, optical, elastic, and …

In this study, we delve into the potential of the halide perovskite material Ca3SbBr3 for solar
cell applications, using QuantumATK simulation tool. By employing DFT with both GGA-PBE …

Double perovskite halides (DPHs), specifically Cs 2 CuSbH 6 (where H= Cl, Br, and I), serve
as key components in the fabrication of flexible electronic devices, including solar cells …

We performed a thorough investigation of the structural, mechanical, electrical, and optical
characteristics of the lead-free perovskite Cs 2 LiInBr 6 by employing the Density Functional …

In this report, the perovskite materials CsGeX 3 and CsGeX 2 X'(X and X'= Cl, Br, I) are
studied using density functional theory (DFT) and a time-dependent (TD)-DFT approach …

This study presents a detailed analysis of Ca 3 SbCl 3 halide perovskite revealing its
potential for photovoltaic applications. We studied structural, electronic, and optical …

High entropy alloys (HEAs) are multi-component metallic materials renowned for their
exceptional thermal stability, superior corrosion resistance, and other outstanding …

The structural, mechanical, electrical and optical properties of double perovskite halides like
Rb 2 CuSbH 6 (where H= Cl, Br, and I) for flexible electronic devices are fascinating and …