Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films

Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb2Te3 films are presented. The thickness-dependent electrical conductivity and the thermopower are computed in the diffusive limit of transport based...

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Published in:ACS nano 2015-04, Vol.9 (4), p.4406-4411
Main Authors: Hinsche, Nicki F, Zastrow, Sebastian, Gooth, Johannes, Pudewill, Laurens, Zierold, Robert, Rittweger, Florian, Rauch, Tomáš, Henk, Jürgen, Nielsch, Kornelius, Mertig, Ingrid
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container_issue 4
container_start_page 4406
container_title ACS nano
container_volume 9
creator Hinsche, Nicki F
Zastrow, Sebastian
Gooth, Johannes
Pudewill, Laurens
Zierold, Robert
Rittweger, Florian
Rauch, Tomáš
Henk, Jürgen
Nielsch, Kornelius
Mertig, Ingrid
description Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb2Te3 films are presented. The thickness-dependent electrical conductivity and the thermopower are computed in the diffusive limit of transport based on the Boltzmann equation. Contributions of the bulk and the surface to the transport coefficients are separated, which enables to identify a clear impact of the topological surface state on the thermoelectric properties. When the charge carrier concentration is tuned, a crossover between a surface-state-dominant and a Fuchs-Sondheimer transport regime is achieved. The calculations are corroborated by thermoelectric transport measurements on Sb2Te3 films grown by atomic layer deposition.
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title Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films
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