Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 27, Pages 17912-17916Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp03211g
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Funding
- National Natural Science Foundation [11574236, 51172167]
- 973 Program'' of China [2013CB632502]
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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.
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