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

Author(s)

Umasankar Rout, Sahil Tippireddy, Katharina Werbach, Padaikathan Pambannan, Gerda Rogl, Peter Rogl, Ramesh Chandra Mallik

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 similar to 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.

Organisation(s)

Dynamics of Condensed Systems, Department of Materials Chemistry

External organisation(s)

Indian Institute of Science

Journal

Scripta Materialia

Volume

188

Pages

151-156

No. of pages

6

ISSN

1359-6462

DOI

https://doi.org/10.1016/j.scriptamat.2020.07.036

Publication date

11-2020

Peer reviewed

Yes

Austrian Fields of Science 2012

104017 Physical chemistry, 103018 Materials physics

Keywords

ASJC Scopus subject areas

Condensed Matter Physics, Mechanics of Materials, Mechanical Engineering, Metals and Alloys, General Materials Science

Portal url

https://ucrisportal.univie.ac.at/en/publications/43ba45fe-bd4d-4739-b38d-32fb32cc97b5