Investigation of structural, mechanical, electronic, optical, and thermodynamic properties of AXI3 (A= Li, Na; X= Ca, Sr, and Ba) halide perovskites for emerging energy …

MT Hossain, T Akter, J Islam, MAAB Shuvo… - Materials Science in …, 2025 - Elsevier
The exceptional properties of perovskite compounds, particularly in solar and
optoelectronics technology, have gained significant attention in recent years. The …

First-principles calculations to investigate the impact of hydrostatic pressure on the physical properties of LiXCl3 (X= Be, Mg) chloroperovskites: An insight for …

MT Hossain, MR Islam, S Ahmad - Materials Science in Semiconductor …, 2025 - Elsevier
External pressure significantly alters the physical properties of inorganic halide perovskites,
providing the way for the mass production of several optoelectronic elements. This work …

A first principles insight of non-toxic lead-free inorganic halides KInX3 (X= F, Cl, Br and I) for visible-light photocatalytic water splitting application

MK Masood, W Khan, A Saeed, MM Alam… - Materials Research …, 2025 - Elsevier
The novel halide perovskite materials have been the subject of current innovation in
optoelectronic technology. Lead halide perovskites have received a great deal of study …

First-principles investigation of half-metallic CaTGe2O6 (T= Mn, Fe, Co) clinopyroxenes: Potential for spintronics and optoelectronics applications

T Akter, J Islam, K Hossain, RA Rabu - Heliyon, 2025 - cell.com
Clinopyroxene is a subgroup of pyroxene that is found in a variety of igneous and
metamorphic rocks. This study investigates the structural, mechanical, electronic, optical …