LaPtSb: a half-Heusler compound with high thermoelectric performance.
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, LaPtSb exhibits an 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.
Key Laboratory of Artificial Micro - and Nano-Structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072, China. phlhj@whu.edu.cn.
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