期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 18, 期 27, 页码 17912-17916出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6cp03211g
关键词
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资金
- National Natural Science Foundation [11574236, 51172167]
- 973 Program'' of China [2013CB632502]
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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