Guechi, N. and Bouhemadou, Abdelmadjid and Benaisti, I. and Bin-Omran, Saad and Khenata, Rabah and Al-Douri, Yarub (2020) Temperature and doping effects on the transport properties of SrIn2P2 Zintl compound. Journal of Alloys and Compounds, 815. p. 152384. ISSN 0925-8388, DOI https://doi.org/10.1016/j.jallcom.2019.152384.
Full text not available from this repository.Abstract
In this paper, we present and discuss temperature and doping effects on the electrical and thermal transport properties of SrIn2P2 Zintl phase along the [100] and [001] crystallographic directions. The calculations were performed by using the full-potential linearized augmented plane wave method in conjunction with Boltzmann's transport theory and Bardeen-Shockley's deformation potential with the carrier relaxation time and effective mass approximations. We calculated the band effective masses inside two energy windows of 125 meV; one above the fundamental conduction band minimum (FCBM) and the second below the valence band maximum (VBM). The calculated band effective masses exhibit a noticeable anisotropy and demonstrate that the n-type SrIn2P2 transport properties are better than those of the p-type one over the considered charge-carrier concentration range at room-, intermediate- and high-temperature, due to the proximity of the secondary conduction band minimums to the FCBM (∼58 meV). The n-type SrIn2P2 has a considerable Seebeck coefficient (429 μV/K), an extremely low electrical resistivity (0.90 mΩcm), and a relatively small lattice thermal conductivity (1.12 Wm−1K−1), which yield a figure of merit ZT of 0.87 for an electron concentration of 3.0 × 1019 cm−3 at 900 K. These results make SrIn2P2 a hopeful n-type thermoelectric material if we can further reduce its lattice thermal conductivity. © 2019 Elsevier B.V.
| 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: | Zintl phases; First-principles calculations; Electronic band structure; Effective mass; Thermoelectric properties |
| Subjects: | Q Science > Q Science (General) Q Science > QC Physics |
| Divisions: | Deputy Vice Chancellor (Research & Innovation) Office > Nanotechnology & Catalysis Research Centre |
| Depositing User: | Mr. Faizal Hamzah |
| Date Deposited: | 23 Jul 2011 02:41 |
| Last Modified: | 11 Nov 2019 03:33 |
| URI: | http://eprints.um.edu.my/id/eprint/1842 |
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