3 papers
cond-mat.mtrl-sci2024
Pressure dependent physical properties of a potential high-TC superconductor ScYH6: insights from first-principles study
Md. Ashraful Alam, F. Parvin, S. H. Naqib
We have investigated the structural, elastic, electronic, thermophysical, superconducting, and optical properties of ScYH6 under uniform hydrostatic pressures up to 25 GPa, using t…
cond-mat.mtrl-sci2023
First-principles pressure dependent investigation of the physical properties of KB2H8: a prospective high-TC superconductor
Md. Ashraful Alam, F. Parvin, S. H. Naqib
Using the density functional theory (DFT) based first-principles investigation, the structural, mechanical, hardness, elastic anisotropy, optoelectronic, and thermal properties of…
cond-mat.mtrl-sci2023
Ab-initio insights into the structural, elastic, bonding, and thermophysical properties of UHx (x = 1, 2, 3, 5, 6, 7, 8) under pressure: possible relevance to high-Tc superconductivity
Md. Ashraful Alam, F. Parvin, S. H. Naqib
Binary uranium hydrides, UHx (x = 1, 2, 3, 5, 6, 7, 8), with different crystal symmetries are potentially interesting compounds for high-Tc superconductivity and as hydrogen storag…