Phonon limited thermoelectric transport in Pb

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 st...

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Veröffentlicht in:arXiv.org 2017-05
Hauptverfasser: Rittweger, Florian, Hinsche, Nicki Frank, Mertig, Ingrid
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:2331-8422
DOI:10.48550/arxiv.1705.01976