Article ID Journal Published Year Pages File Type
7997013 Journal of Alloys and Compounds 2016 6 Pages PDF
Abstract
The electronic structure and thermoelectric properties of half-Heusler ABPb (A = Hf, Zr; B = Ni, Pd) compounds were investigated by the first-principles calculation. Our results indicate all the four compounds are narrow-gap semiconductors. The value of power factor over relaxation time (S2σ/τ) first increases and then decreases with carrier concentration increasing, because of the narrower band gap. The optimal p- or n-type doping concentrations with different temperature have been estimated. Comparing with the experimental data of ZrNiPb, we get the thermopower S, power factor S2σ and the maximum power factor as a function of carrier concentration and temperature. Our calculated power factors are in good agreement with the experimental data, and give some suggestions to improve the thermoelectric properties.
Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys
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