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

177 citations

Showing cond-mat.mtrl-sciShow all

9 papers · 1 filter

cond-mat.mtrl-sci2025★ 5 cited

Investigation of magnetic ordering with spin reorientation transition and optical properties in DyCoCrO nanomaterials

M. M. Islam, M. A. Islam, Rana Hossain +2

This study reports the synthesis and physical properties of polycrystalline DyCoCrO (DCCO) nanoparticles. Analysis of the powder X-ray diffraction (XRD) pattern using Rietv…

cond-mat.mtrl-sci2020★ 9 cited

Physical properties of new MAX phase borides M2SB (M = Zr, Hf and Nb) in comparison with conventional MAX phase carbides M2SC (M = Zr, Hf and Nb): Comprehensive insights

M. A. Ali, M. M. Hossain, M. M. Uddin +3

In this article, a detailed study of the recently synthesized MAX phase borides M2SB (M = Zr, Hf and Nb) has been performed via first principles technique. Investigation of mechani…

cond-mat.mtrl-sci2020★ 12 cited

First-principles prediction of Structural Stability and Thermoelectric Properties of SrGaSnH

Enamul Haque, Mizanur Rahaman

Thermoelectric materials based on earth-abundant and non-toxic elements are very useful in cost-effective and eco-friendly waste heat management systems. The constituents of SrGaSn…

cond-mat.mtrl-sci2020★ 10 cited

Improving the Optical and Thermoelectric Properties of Cs2InAgCl6 with Substitutional Doping: A DFT Insight

K. C. Bhamu, Enamul Haque, C. S. Praveen +4

New generation Indium based lead-free Cs2InAgCl6 is a promising halide material in photovoltaic applications due to its good air stability and non-toxic behavior. But its wide band…

cond-mat.mtrl-sci2019★ 25 cited

First-principles prediction of extraordinary thermoelectric efficiency in superionic Li2SnX3(X=S,Se)

Enamul Haque, Claudio Cazorla, M. Anwar Hossain

Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in the…

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.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…