81 citations · 208 across the 5 of their papers we have counts for
7 papers
Recently synthesized (Zr1-xTix)2AlC (0 - x - 1) solid solutions: Theoretical study of the effects of M mixing on physical properties
M. A. Ali, M. M. Hossain, M. A. Hossain +5
The effects of M atomic species mixing on the physical properties of newly synthesized MAX phase (Zr1-xTix)2AlC solid solutions have been studied by means of density functional the…
First-principles study of superconducting ScRhP and ScIrP pnictides
M. T. Nasir, M. A. Hadi, M. A. Rayhan +7
For the first time, we have reported in this study an ab initio investigation on elastic properties, Debye temperature, Mulliken population, Vickers hardness, and charge density of…
First-principles prediction of mechanical and bonding characteristics of new T2 superconductor Ta5GeB2
M. A. Hadi, M. T. Nasir, M. Roknuzzaman +3
In the present paper, DFT (Density Functional Theory) based first-principles methods are applied to investigate the mechanical and bonding properties of newly synthesized T2 phase…
Ab initio Investigation of Vibrational, Thermodynamic, and Optical properties of Sc2AlC MAX compound
M. A. Ali, M. T. Nasir, M. R. Khatun +2
The structural, vibrational, thermodynamical and optical properties of technologically important, weakly coupled MAX compound, Sc2AlC are calculated using density functional theory…
Structural, elastic, and electronic properties of newly discovered Li2PtSi3 superconductor: Effect of transition metals
M. A. Alam, M. A. Hadi, M. T. Nasir +5
First-principles calculations within the density functional theory (DFT) with GGA-PBE exchange-correlation scheme have been employed to predict the structural, the elastic and the…
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…
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…