87 citations · 604 across the 33 of their papers we have counts for
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A comprehensive first principles calculations on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 single-cubic-perovskite superconductor
Mirza H. K. Rubel, Sujon Kumar Mitro, Khandaker Monower Hossain +7
In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on…
Theoretical investigations of superconducting MAX phases Ti2InX (X = C, N)
M. Roknuzzaman, A. K. M. A. Islam
The structural, elastic, electronic, thermal and optical properties of superconducting MAX phases Ti2InX (X = C, N) are investigated by density functional theory (DFT). The results…
Superconducting MAX phases Nb2AC (A = S, Sn): An ab-initio study
M. T. Nasir, A. K. M. A. Islam
An ab-initio investigation of structural parameters, elastic, electronic, thermodynamic and optical properties of MAX phases Nb2AC (A = S, Sn) has been carried out by the plane wav…
High pressure Ca-VI phase between 158-180 GPa: Stability, electronic structure and superconductivity
M. Aftabuzzaman, A. K. M. A. Islam
We have performed ab initio calculations for new high-pressure phase of Ca-VI between 158-180 GPa. The study includes elastic parameters of mono- and poly-crystalline aggregates, e…
Elastic and electronic properties of PbO-type FeSe1-xTex (x = 0 - 1.0): A first-principles study
S. Chandra, A. K. M. A. Islam
The effect of doping on electronic and other related properties of PbO-type FeSe1-xTex has been investigated theoretically using density functional method. The elastic properties f…
AlH3 between 65-110 GPa: implications of electronic band and phonon structures
A. K. M. A. Islam, M. M. Ali, M. L. Ali
A first-principles density-functional-theory method has been used to reinvestigate the mechanical and dynamical stability of the metallic phase of AlH3 between 65-110 GPa. The elec…