output
20122026
most citedFirst-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPdBO (B = Ti, V) perovskite

177 citations

Showing 2018Show all

5 papers · 1 filter

cond-mat.mtrl-sci2018★ 9 cited

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…

cond-mat.supr-con2018★ 24 cited

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…

cond-mat.mtrl-sci2018★ 102 cited

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…

cond-mat.mtrl-sci2018★ 19 cited

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…

cond-mat.mtrl-sci2018★ 2 cited

Structural, elastic, electronic, magnetic and thermoelectric properties of new quaternary Heusler compounds CoZrMnX (X=Al, Ga, Ge, In)

M. Anwar Hossain, Md. Taslimur Rahman, Morioum Khatun +1

We have performed a comprehensive set of first principles calculations to study the structural, elastic, electronic, magnetic and transport properties of new quaternary Heusler com…