87 citations · 604 across the 33 of their papers we have counts for
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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…
Structural, Elastic, Electronic and Optical Properties of a New Layered-Ternary Ta4SiC3 Compound
M. S. Islam, A. K. M. A. Islam
We propose a new layered-ternary Ta4SiC3 with two different stacking sequences (α- and β-phases) of the metal atoms along c axis and study their structural stability. The mechanica…
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…