81 citations · 204 across the 6 of their papers we have counts for
9 papers
Investigation of the Pressure Dependent Physical Properties of MAX Phase Ti2AlX (X = B, C, and N) Compounds: A First-Principles Study
M. I. Naher, M. Montasir, M. Y. H. Khan +6
The physical properties and their pressure dependence of recently synthesized Ti2AlX (X = B, C, and N) MAX phases are investigated for the very first time applying density function…
Structural, elastic, thermal and lattice dynamic properties of new 321 MAX phases
M. A. Hadi, M. A. Rayhan, S. H. Naqib +2
A new series of MAX family designated as 321 phases are recently reported with Nb3As2C, V3As2C, Nb3P2C and Ta3P2C. Most of the physical properties of these new MAX phase compounds…
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…
Mechanical behavior, bonding nature, and defect processes of Mo2ScAlC2: a new ordered MAX phase
M. A. Hadi, S. H. Naqib, S. -R. G. Christopoulos +2
In the present study we employed density functional theory calculations to investigate the mechanical behavior, bonding nature and defect processes of the new ordered MAX phase Mo2…
Ab-initio study of mechanical and electronic properties of MoAlB
M. A. Ali, M. A. Hadi, M. M. Hossain +2
Using first-principles calculations, the structural, elastic and electronic properties of MoAlB have been investigated for the first time. The optimized lattice constants exhibit f…
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…