Temperature and P-Doping Dependent Thermoelectric Behavior of Sns: The Role of Crystalline Symmetry

9 Pages Posted: 20 Mar 2023

See all articles by Carlos Iván Zandalazini

Carlos Iván Zandalazini

affiliation not provided to SSRN

Eduardo Aldo Albanesi

affiliation not provided to SSRN

Marcos Ivan Oliva

affiliation not provided to SSRN

Abstract

Temperature- and doping-dependent thermoelectric behavior of p-type SnS, and their dependence on space-group symmetry (Pnma(62)-SnS and C2mb(39)-SnS), were investigated by density functional theory calculation combined with the Boltzmann transport theory. Our results show that the anisotropy in electrical conductivity of C2mb-SnS (Pnma-SnS) in its in-plane value is six orders (one order) of magnitude greater than its corresponding out-of-plane value. The thermopower in C2mb-SnS is about eight times as large as that of in Pnma-SnS at high temperatures, and the maximum Power Factor for C2mb-SnS is two times as large as that of Pnma-SnS, being this difference considerably greater at high temperatures. Our findings indicate that the role of effective masses and bandgap characteristics are critical in reducing the impact of the bipolar transport effect at high temperatures, contributing to our predicted better performance of the C2mb-SnS as a thermoelectric device compared to Pnma-SnS.

Keywords: Density functional theory, Thermoelectric Properties, Tin Sulfide, Anisotropic properties

Suggested Citation

Zandalazini, Carlos Iván and Albanesi, Eduardo Aldo and Oliva, Marcos Ivan, Temperature and P-Doping Dependent Thermoelectric Behavior of Sns: The Role of Crystalline Symmetry. Available at SSRN: https://ssrn.com/abstract=4394183 or http://dx.doi.org/10.2139/ssrn.4394183

Carlos Iván Zandalazini (Contact Author)

affiliation not provided to SSRN ( email )

No Address Available

Eduardo Aldo Albanesi

affiliation not provided to SSRN ( email )

No Address Available

Marcos Ivan Oliva

affiliation not provided to SSRN ( email )

No Address Available

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