Simultaneous optimization of power factor and thermal conductivity via Te and Se double substitution in Cu12Sb4S13 tetrahedrite

Rout, U and Tippireddy, S and Werbach, K and Pambannan, P and Rogl, G and Rogl, P and Mallik, RC (2020) Simultaneous optimization of power factor and thermal conductivity via Te and Se double substitution in Cu12Sb4S13 tetrahedrite. In: Scripta Materialia, 188 . pp. 151-156.

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Abstract

The present study reports the structural, electronic, elastic, and thermoelectric properties of Cu12Sb3.9Te0.1S13-xSex (x = 0, 0.1, 0.5, 0.75 and 1) tetrahedrite. The thermal conductivity was reduced due to charge carrier compensation (by Te), weakening of the Sb-S bond and local chemical disorder (induced by Se), resulting in a low mean sound velocity. Simultaneously, the power-factor was maintained high from an enhancement of the density of states near the Fermi level due to Se. Consequently, a maximum figure of merit ~0.84 at 673 K was achieved for the Cu12Sb3.9Te0.1S12.5Se0.5 sample due to concomitant optimisation of the power-factor and thermal conductivity. © 2020

Item Type:	Journal Article
Publication:	Scripta Materialia
Publisher:	Acta Materialia Inc
Additional Information:	Copy right for this article belongs to Acta Materialia Inc
Keywords:	Antimony compounds; Copper compounds; Electric power factor; Selenium; Tellurium; Thermal conductivity, Carrier compensation; Chemical disorder; Density of state; Double substitution; Figure of merits; Optimisations; Simultaneous optimization; Thermoelectric properties, Sulfur compounds
Department/Centre:	Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy) Division of Physical & Mathematical Sciences > Physics
Date Deposited:	23 Nov 2020 05:53
Last Modified:	23 Nov 2020 05:53
URI:	http://eprints.iisc.ac.in/id/eprint/66136

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