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arXiv · 1601.07690

LaPtSb: a half-Heusler compound with high thermoelectric performance

Q. Y. Xue·H. J. Liu·D. D. Fan·L. Cheng·B. Y. Zhao·J. Shi
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Abstract

The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theory and deformation potential theory. Compared with many typical half-Heusler compounds, the LaPtSb exhibits obviously larger power factor at room temperature, especially for the n-type system. Together with the very low lattice thermal conductivity, the thermoelectric figure of merit (ZT) of LaPtSb can be optimized to a record high value of 2.2 by fine tuning the carrier concentration.

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Q. Y. Xue, H. J. Liu, D. D. Fan, L. Cheng, B. Y. Zhao, J. Shi. 2016-06-07. LaPtSb: a half-Heusler compound with high thermoelectric performance. https://doi.org/10.1039/c6cp03211g

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