102 citations · 250 across the 16 of their papers we have counts for
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DFT based study on structural stability and transport properties of Sr3AsN: A potential thermoelectric material
Enamul Haque, M. Anwar Hossain
Antiperovskite materials are well known for their high thermoelectric performance and gained huge research interest. Here, we report the structural stability and transport properti…
Optoelectronic and thermoelectric properties of Ba3DN (D = Sb, Bi): A DFT investigation
Enamul Haque, Md. Taslimur Rahman, M. Anwar Hossain
We have investigated the optoelectronic and thermoelectric properties of hexagonal antiperovskites BaDN (D = Sb, Bi) using DFT calculations. The calculated equilibrium lattice…
First-principles prediction of phonon-mediated superconductivity in XBC (X= Mg, Ca, Sr, Ba)
Enamul Haque, M. Anwar Hossain, Catherine Stampfl
From first-principles calculations, we predict four new intercalated hexagonal BC (=Mg, Ca, Sr, Ba) compounds to be dynamically stable and phonon-mediated superconductors. Th…
High Seebeck coefficient and ultra-low lattice thermal conductivity in Cs2InAgCl6
Enamul Haque, M. Anwar Hossain
The elastic, electronic and thermoelectric properties of indium-based double-perovskite halide, Cs2InAgCl6 have been studied by first principles study. The Cs2InAgCl6 is found to b…
Structural, elastic, optoelectronic and transport properties of Sr3SnO under pressure
Enamul Haque, M. Anwar Hossain
We have presented the structural, elastic, optoelectronic and transport properties of Sr3SnO under pressure by using first principles method. The application of hydrostatic pressur…
Enhanced thermoelectric performance in Ca substituted Sr3SnO
Enamul Haque, M. Anwar Hossain
We report 45% enhancement in the thermoelectric figure of merit, ZT of Sr3SnO via Ca substitution. First-principles calculations have been performed to study the electronic and the…