87 citations · 113 across the 12 of their papers we have counts for
12 papers
DFT aided prediction of phase stability, optoelectronic and thermoelectric properties of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double perovskites for energy harvesting technology
S. Mahmud, M. A. Ali, M. M. Hossain +1
In this work, density functional theory (DFT) is used to find out the ground state structures of A2AuScX6 (A= Cs, Rb; X= Cl, Br, I) double Perovskite (DP) halides for the first tim…
Impact of particle size on the magnetic properties of highly crystalline Yb3+ substituted Ni-Zn nanoferrites
N. Jahan, M. M. Uddin, M. N. I. Khan +4
Yb-substituted Ni-Zn ferrites have been synthesized using sol-gel auto combustion method. The structural characterization of the compositions has been performed by X-ray diffractio…
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…
Influence of Se doping in recently synthesized NaInS2-xSex solid solutions for potential thermo-mechanical applications studied via first-principles method
M. M. Hossain, M. A. Ali, M. M. Uddin +6
In the present work, the structural and hitherto unexplored thermal and mechanical properties of NaInS2-xSex (x = 0, 0.5, 1.0, 1.5 and 2.0) compounds have been studied using the de…
Recently predicted ternary boride Hf3PB4: Insights into the physical properties of this hardest possible boride MAX phase
M. A. Ali, M. M. Hossain, A. K. M. A. Islam +1
In this work, we have explored via first principles study of mechanical properties including Vickers hardness and mechanical anisotropy, electronic charge density distribution, Fer…