81 citations · 160 across the 7 of their papers we have counts for
6 papers · 1 filter
First-Principles Study of Large Gyrotropy in MnBi for Infrared Thermal Photonics
Md Roknuzzaman, Sathwik Bharadwaj, Yifan Wang +4
Nonreciprocal gyrotropic materials have attracted significant interest recently in material physics, nanophotonics, and topological physics. Most of the well-known nonreciprocal ma…
Elastic, electronic, optical and thermoelectric properties of K2Cu2GeS4: a new chalcogenide material
M. A. Ali, M. A. Hossain, M. A. Rayhan +5
We report the first principles study of structural, elastic, electronic, optical and thermoelectric properties of newly synthesized K2Cu2GeS4. The structural parameters are found t…
First-principles study of superconducting ScRhP and ScIrP pnictides
M. T. Nasir, M. A. Hadi, M. A. Rayhan +7
For the first time, we have reported in this study an ab initio investigation on elastic properties, Debye temperature, Mulliken population, Vickers hardness, and charge density of…
First-principles prediction of mechanical and bonding characteristics of new T2 superconductor Ta5GeB2
M. A. Hadi, M. T. Nasir, M. Roknuzzaman +3
In the present paper, DFT (Density Functional Theory) based first-principles methods are applied to investigate the mechanical and bonding properties of newly synthesized T2 phase…
Physical properties of predicted Ti2CdN versus existing Ti2CdC MAX phase: An ab initio study
M Roknuzzaman, M A Hadi, M J Abedin +5
Ab intio calculations were done to investigate the structural, elastic, electronic and optical properties of the Cd-containing theoretically predicted MAX phase, Ti2CdN, in compari…
New Superconductor (Na0.25K0.45) Ba3Bi4O12: A First-principles Study
Ali M. S., Aftabuzzaman M., Roknuzzaman M. +5
A new superconductor (Na0.25K0.45)Ba3Bi4O12, having an A-site-ordered double perovskite structure, with a maximum Tc ~ 27 K has very recently been discovered through hydrothermal s…