Issue 6, 2017

Computational prediction of high thermoelectric performance in p-type half-Heusler compounds with low band effective mass

Abstract

Half-Heusler (HH) compounds are important high temperature thermoelectric (TE) materials and have gained ever-increasing popularity. In recent years, p-type FeNbSb-based heavy-band HH compounds have attracted considerable attention with the record-high zT value of 1.5. Here, we use first-principles based methods to predict a very high zT value of 1.54 at 1200 K in p-type RuTaSb alloys. The high band degeneracy and low band effective mass contribute to a high power factor. Although the electrical thermal conductivity is high due to the high carrier mobility and hence electrical conductivity, the total thermal conductivity is moderate because of the low lattice thermal conductivity. The predicted high zT demonstrates that the p-type RuTaSb HH alloys are promising as TE materials for high temperature power generation.

Graphical abstract: Computational prediction of high thermoelectric performance in p-type half-Heusler compounds with low band effective mass

Supplementary files

Article information

Article type
Paper
Submitted
18 Nov 2016
Accepted
09 Jan 2017
First published
09 Jan 2017

Phys. Chem. Chem. Phys., 2017,19, 4411-4417

Computational prediction of high thermoelectric performance in p-type half-Heusler compounds with low band effective mass

T. Fang, S. Zheng, T. Zhou, L. Yan and P. Zhang, Phys. Chem. Chem. Phys., 2017, 19, 4411 DOI: 10.1039/C6CP07897D

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements