4 papers
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…
DFT exploration of pressure dependent physical properties of the recently discovered La3Ni2O7 superconductor
Md. Enamul Haque, Ruman Ali, M. A. Masum +2
The recent discovery of superconductivity in Ruddlesden-Popper bilayer nickelate La3Ni2O7 under pressure has drawn a lot of interest. La3Ni2O7 is isostructural with cuprates in som…
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…
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…