Temperature and doping effects on the transport properties of SrIn2P2 Zintl compound

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.

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Official URL: https://doi.org/10.1016/j.jallcom.2019.152384


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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