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cond-mat.mtrl-sci2025
DFT based comparative study of the physical properties of MAlB (M = V, Ta, Mo, Nb) MAB compounds
Jahid Hassan, M. A. Masum, Ruman Ali +2
MAB phases have appealing physical features that make them appropriate for a wide range of applications. Motivated by this, we present density functional theory (DFT) calculations…
cond-mat.mtrl-sci2025
Pressure dependent ab initio study of the physical properties of hexagonal BeB2C: a possible high-Tc superconductor
Ruman Ali, Md. Enamul Haque, Jahid Hassan +3
This study uses the Density Functional Theory to explore the pressure dependent properties of hexagonal BeB2C. The metallic nature of BeB2C was substantiated at ambient pressure, w…
cond-mat.mtrl-sci2023
A comparative ab-initio investigation of the physical properties of cubic Laves phase compounds XBi (X = K, Rb)
Jahid Hassan, M. A. Masum, S. H. Naqib
In this study, we looked into a number of physical properties of alkali-bismuth compounds KBi and RbBi in the cubic Laves phase using the density functional theory (DFT). T…