9 citations · 26 across the 16 of their papers we have counts for
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Unravelling the stability, electronic and physical properties in bulk and (001)-surfacesof newlysynthesized Ti2ZnX (X=C, N)MAX phases
Muhammad Waqas Qureshi, M. A. Ali, Xinxin Ma +3
MAX phase family has been extended by the addition of late transition metals at the A-site with the expectation of diverse functional properties, such as magnetism and catalysis. H…
DFT insights into the new Hf-based chalcogenide MAX phase Hf2SeC
M. A. Ali, Muhammad Waqas Qureshi
The physical characteristics of the novel chalcogenide MAX phase Hf2SeC have been investigated using the DFT method. The obtained lattice constant and elastic constants (Cij) are c…
Newly synthesized 3D boron-rich chalcogenides B12X (X = S, Se): Theoretical characterization of physical properties for optoelectronic and mechanical applications
M. M. Hossain, M. A. Ali, M. M. Uddin +2
Boron rich chalcogenides have been predicted to have excellent properties for optical and mechanical applications in recent times. In this regard, we report the electronic, optical…
Newly synthesized MAX phase Zr2SeC: DFT insights into physical properties towards possible applications
M. A. Ali, Muhammad Waqas Qureshi
A DFT study of the synthesized MAX phase Zr2SeC has been carried out for the first time to explore its physical properties for possible applications in many sectors. The studied pr…
Origin of high hardness and optoelectronic and thermo-physical properties of boron-rich compounds B6X (X = S, Se): a comprehensive study via DFT approach
M. M. Hossain, M. A. Ali, M. M. Uddin +2
In the present study, the structural and hitherto uninvestigated mechanical (elastic stiffness constants, machinability index, Cauchy pressure, anisotropy indices, brittleness/duct…
Physical properties of predicted MAX phase borides Hf2AB (A = Pb, Bi): a DFT insight
M. S. Hossain, M. A. Ali, M. M. Hossain +1
We have used density functional theory to study the recently predicted MAX phase borides Hf2AB (A = Pb, Bi) in where the mechanical, electronic, thermal, and optical properties hav…