Publications

Simultaneous optimization of power factor and thermal conductivity via Te and Se double substitution in Cu<sub>12</sub>Sb<sub>4</sub>S<sub>13</sub> 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
103018 Materials physics, 104017 Physical chemistry
Keywords
Portal url
https://ucris.univie.ac.at/portal/en/publications/simultaneous-optimization-of-power-factor-and-thermal-conductivity-via-te-and-se-double-substitution-in-cu12sb4s13-tetrahedrite(43ba45fe-bd4d-4739-b38d-32fb32cc97b5).html