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.
@article{arxiv.1601.07690,
title = {LaPtSb: a half-Heusler compound with high thermoelectric performance},
author = {Q. Y. Xue and H. J. Liu and D. D. Fan and L. Cheng and B. Y. Zhao and J. Shi},
journal= {arXiv preprint arXiv:1601.07690},
year = {2016}
}