LaPtSb: a half-Heusler compound with high thermoelectric performance

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.

References in corpus (2)

• BoltzTraP. A code for calculating band-structure dependent quantities
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

Cited by in corpus (4)

• Thermoelectric performance of p-type half-Heusler alloys ScMSb (M = Ni, Pd, Pt) by ab initio calculations
• High thermoelectric efficiency in monolayer PbI${}_2$ from 300 K to 900 K
• High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity
• Unravelling the phonon scattering mechanism in Half-Heusler alloys ZrCo1-xIrxSb (x = 0, 0.1, and 0.25)