88 citations · 197 across the 33 of their papers we have counts for
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Pressure-Driven Evolution of the Physical Properties of Layered Y2GaB and Y2InB MAB Phases: A Comparative First-Principles Study
M. Rabi Us Sani Shapon, Md. Asif Afzal, Jubair Hossan Abir +2
MAB phases are nanolaminated ternary borides in which strong in-plane M-B bonds and weaker interlayer interactions drive their distinctive stability and functionality. Hydrostatic…
Multifunctionality in Janus CrMCN4 (M = Si/Ge) Monolayers: Valleytronic Physics, Piezoelectric Response, and Photocatalytic Potential
Jubair Hossan Abir, M. R. U. S. Shapon, S. S. B. Pallab +3
Two dimensional Janus semiconductors integrating spin-valley coupling, piezoelectricity, and tunable optical responses offer a platform for multifunctional nanodevices. Here, first…
Phase Switchable Photocatalytic Water Splitting via a Paraelectric-Ferroelectric Transition in Zr2Ge2S6 Monolayer: A Comprehensive Theoretical Insights
Jubair Hossan Abir, Tauhidur Rahman, Md. Tanvir Khan +3
Photocatalytic water splitting (PWS) is a promising technology for addressing the global energy crisis and producing renewable and clean hydrogen fuel. Although numerous 2D materia…
Topological Electronic States and Phonon Mediated Superconductivity in Ru Based Ternary Pnictides: ZrRuAs and HfRuP
Jubair Hossan Abir, Tanvir Khan, Tauhidur Rahman +5
This study investigates the structural, electronic, mechanical, optical, thermodynamic, and superconducting properties of ZrRuAs and HfRuP. Electronic band structure calculations r…
First-Principles Study of Novel Lead-Free Double Perovskite \b{eta}2SnGeX6 (\b{eta} = K, Rb; X = Cl, Br, I) for thermomechanical, optoelectronic and outstanding thermoelectric applications
Jubair Hossan Abir, Tauhidur Rahman, S. S. B. Pallab +3
In this study, the structural, mechanical, electronic, optical, and thermoelectric properties of the novel lead-free halide double perovskite series beta2SnGeX6 (beta = K, Rb; X =…
Pressure dependent ab initio study of the physical properties of hexagonal BeB2C: a possible high-Tc superconductor
Ruman Ali, Md. Enamul Haque, Jahid Hassan +3
This study uses the Density Functional Theory to explore the pressure dependent properties of hexagonal BeB2C. The metallic nature of BeB2C was substantiated at ambient pressure, w…
Ab-initio insights into the mechanical, phonon, bonding, electronic, optical and thermal properties of hexagonal W2N3 for potential applications
Istiak Ahmed, F. Parvin, R. S. Islam +1
We investigated the structural, elastic, electronic, vibrational, optical, thermodynamic and a number of thermophysical properties of W2N3 in this study using DFT based formalisms.…
DFT based investigation of structural, elastic, optoelectronic, thermophysical and superconducting state properties of binary Mo3P at different pressures
Md. Sohel Rana, Razu Ahmed, Md. Sajidul Islam +2
In recent years, the investigation of novel materials for various technological applications has gained much importance in materials science research. Tri-molybdenum phosphide (Mo3…
A comparative study of the structural, elastic, thermophysical, and optoelectronic properties of CaZnX (X = N, P, As) semiconductors via ab-initio approach
Md. Sajidul Islam, Razu Ahmed, Md. Mahamudujjaman +2
We present a detailed density functional theory based calculations of the structural, elastic, lattice dynamical, thermophysical, and optoelectronic properties of ternary semicondu…
Pressure-dependent semiconductor-metal transition and elastic, electronic, optical, and thermophysical properties of SnS binary chalcogenide
Ayesha Tasnim, Md. Mahamudujjaman, Md. Asif Afzal +2
Density functional theory based study of the pressure dependent physical properties of binary SnS compound has been carried out. The computed elastic constants reveal that SnS is m…
Comparative analysis of physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti): Insights from a comprehensive ab-initio study
Razu Ahmed, Md. Mahamudujjaman, Md. Asif Afzal +3
Binary metallic carbides belong to a technologically prominent class of materials. We have explored the structural, mechanical, electronic, optical, and some thermophysical propert…