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arxiv: 1705.01976 · v2 · pith:U5F4F5GUnew · submitted 2017-05-04 · ❄️ cond-mat.mtrl-sci

Phonon limited thermoelectric transport in Pb

classification ❄️ cond-mat.mtrl-sci
keywords schemethermopowertransportaccountingappliedbelowcomplicatedcompute
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We present a fully ab initio based scheme to compute transport properties, i.e. the electrical conductivity {\sigma} and thermopower S, in the presence of electron-phonon interaction. Therefore, we explicitly investigate the k-dependent structure of the Eliashberg spectral function , the coupling strength, the linewidth and the relaxation time {\tau}. We obtain a state-dependent {\tau} and show its necessity to reproduce the increased thermopower at temperatures below the Debye temperature, without accounting for the phonon-drag effect. Despite the detailed investigations of various k and q dependencies, the presented scheme can be easily applied to more complicated systems.

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