87 citations · 604 across the 33 of their papers we have counts for
34 papers
A comprehensive first principles calculations on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 single-cubic-perovskite superconductor
Mirza H. K. Rubel, Sujon Kumar Mitro, Khandaker Monower Hossain +7
In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on…
Enhanced thermo-mechanical properties of 212 MAX phase borides Zr2AB2 (A = In, Tl): an ab-initio understanding
M. A. Ali, M. M. Hossain, M. M. Uddin +2
The discovery of MAX phase borides has added a new dimension for research in the materials science community. In this paper, a first-principles study of the newly known MAX phase b…
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…
DFT insights into new B-containing 212 MAX phases: Hf2AB2 (A = In, Sn)
M. A. Ali, M. M. Hossain, M. M. Uddin +3
212 MAX phase borides are new additions to the MAX phase family with enhanced thermo-mechanical properties. In this article, first-principles calculations have been carried out to…
NaInX2 (X = S, Se) layered materials for energy harvesting applications: First-principles insights into optoelectronic and thermoelectric properties
M. M. Hossain, M. A. Hossain, S. A. Moon +5
In the present study, the structural, electronic, optical and thermoelectric properties of two isostructural chalcogenide materials, NaInS2 and NaInSe2 with hexagonal symmetry (R-3…
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…