2 papers
cond-mat.mtrl-sci2016
Comparative study of Mo2Ga2C with superconducting MAX phase Mo2GaC: a first-principles calculations
M. A. Ali, M. R. Khatun, N. Jahan +1
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GG…
cond-mat.mtrl-sci2016
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…