51 citations · 146 across the 7 of their papers we have counts for
8 papers · 1 filter
New Ternary Superconducting Compound LaRu2As2: Physical Properties from DFT Calculations
M. A. Hadi, M. S. Ali, S. H. Naqib +1
In this paper, we have presented the density functional theory (DFT) based calculations performed within the first-principles pseudopotential method to investigate the physical pro…
New MAX Phase Compound Mo2TiAlC2: First-principles Study
M. S. Ali, M. A. Rayhan, M. A. Ali +2
A theoretical study of Mo2TiAlC2 compound belonging to the MAX phases has been performed by using the firstprinciples pseudopotential plane-wave method within the generalized gradi…
Physical properties of predicted Ti2CdN versus existing Ti2CdC MAX phase: An ab initio study
M Roknuzzaman, M A Hadi, M J Abedin +5
Ab intio calculations were done to investigate the structural, elastic, electronic and optical properties of the Cd-containing theoretically predicted MAX phase, Ti2CdN, in compari…
Synthesized inverse-perovskites Sc3InX (X = B, C, N): A theoretical investigation
M. A. Hossain, M. S. Ali, F. Parvin +1
We present first-principles density functional theory (DFT) investigations of mechanical, thermodynamic and optical properties of synthesized inverse-perovskites Sc3InX (X = B, C,…
Mechanical, thermal and optical properties of perovskite borides RRh3B(R = Y, Zr, and Nb)
M. A. Hossain, M. S. Ali, A. K. M. A. Islam
We report here ab initio density functional theory (DFT) calculations of structural, elastic, Peierls stress, thermodynamic and optical properties of RRh3B (R = Y, Zr and Nb) using…
Phase stability, elastic, electronic, thermal and optical properties of Ti3Al1-xSixC2 (0 LE x LE 1): First-principles study
M. S. Ali, A. K. M. A. Islam, M. M. Hossain +1
The structural parameters with stability upon Si incorporation and elastic, electronic, thermodynamic and optical properties of Ti3Al1-xSixC2 (0 \leq x \leq 1) are investigated sys…