Salik, L. and Bouhemadou, Abdelmadjid and Boudiaf, K. and Saoud, Fatma Saad and Bin-Omran, Saad and Khenata, Rabah and Al-Douri, Yarub and Reshak, Ali H. (2020) Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4. Journal of Superconductivity and Novel Magnetism, 33 (4). pp. 1091-1102. ISSN 1557-1939, DOI https://doi.org/10.1007/s10948-019-05331-1.
Full text not available from this repository.Abstract
A theoretical study of the structural, elastic, electronic, optical, magnetic, and thermoelectric properties of the newly synthetized diamond-like quaternary semiconductor CuMn2InSe4 was carried out in this paper. The calculated equilibrium structural parameters are in excellent agreement with available experimental data. The single-crystal and polycrystalline elastic moduli were predicted using energy strain technique. Electronic properties, including band energy dispersion, total and projected densities of states, and charge distribution map, were calculated and analyzed. Total and local magnetic moments were determined. Linear optical functions were predicted from the calculated band structure. We studied the chemical potential dependence of the thermoelectric parameters, including Seebeck coefficient, electrical conductivity, thermal conductivity, and power factor. The maximum power factor and the corresponding chemical potential are estimated. The obtained results were compared with available ones. © 2019, Springer Science+Business Media, LLC, part of Springer Nature.
| Item Type: | Article |
|---|---|
| Funders: | Deanship of Scientific Research at King Saud University for funding this work through research group no RG-1440-106 |
| Uncontrolled Keywords: | Diamond-like quaternary semiconductors; Elastic constants; Electronic structure; First-principles calculations; Optical functions; Thermoelectric coefficients |
| Subjects: | Q Science > Q Science (General) Q Science > QC Physics |
| Divisions: | Deputy Vice Chancellor (Research & Innovation) Office > Nanotechnology & Catalysis Research Centre |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 23 Jul 2020 07:57 |
| Last Modified: | 23 Jul 2020 07:57 |
| URI: | http://eprints.um.edu.my/id/eprint/25170 |
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