Phonon limited electronic transport in Pb

We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. We explicitly investigate the k-dependent structure of the Éliashberg spectral function, the coupling strength,...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2017-09, Vol.29 (35), p.355501-355501
Main Authors: Rittweger, F, Hinsche, N F, Mertig, I
Format: Article
Language:English
Subjects:
calculation
electron-phonon coupling
electronic transport
thermoelectric transport
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Summary:We present a fully ab initio based scheme to compute electronic transport properties, i.e. the electrical conductivity σ and thermopower S, in the presence of electron-phonon interaction. We explicitly investigate the k-dependent structure of the Éliashberg spectral function, the coupling strength, the linewidth and the relaxation time τ. We obtain a state-dependent τ and show its necessity to reproduce the increased thermopower for 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:0953-8984
1361-648X
DOI:10.1088/1361-648X/aa7b56