Abstract
Our previous first-principles calculations of the electrical and thermal resistivities of Na and K have now been extended to the high temperature thermopower of these elements. Again, the results are in very good agreement with experiment. Included in the calculation is the effect of the energy dependence of the electron-phonon scattering, which is directly related to the non-locality of the bare pseudopotential. For Na this effect is fairly small, as expected, but it is of critical importance for K. It is also crucial to the calculation of the volume derivatives of the thermopower, thus making it very clear that a local pseudopotential description of K is not appropriate for consistent calculations of all the transport properties.
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References
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Leavens, C.R., Taylor, R. (1978). First Principles Calculation of the High-Temperature Thermopower of Sodium and Potassium. In: Blatt, F.J., Schroeder, P.A. (eds) Thermoelectricity in Metallic Conductors. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-6830-5_15
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DOI: https://doi.org/10.1007/978-1-4757-6830-5_15
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