Impact of the Topological Surface State on the Thermoelectric Transport in Sb\(_2\)Te\(_3\) Thin Films

Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb\(_2\)Te\(_3\) films are presented. The thickness-dependent electrical conductivity and the ther- mopower are computed in the diffusive limit of tran...

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Bibliographic Details
Published in:arXiv.org 2015-03
Main Authors: Hinsche, Nicki F, Zastrow, Sebastian, Gooth, Johannes, Pudewill, Laurens, Zierold, Robert, Rittweger, Florian, Rauch, Tomáš, Henk, Jürgen, Nielsch, Kornelius, Mertig, Ingrid
Format: Article
Language:English
Subjects:
Antimony
Atomic layer epitaxy
Boltzmann transport equation
Carrier density
Crossovers
Current carriers
Density functional theory
Electrical resistivity
Electronic structure
Mathematical analysis
Tellurium
Thermoelectricity
Thickness
Thin films
Topology
Transport properties
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Summary:Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb\(_2\)Te\(_3\) films are presented. The thickness-dependent electrical conductivity and the ther- mopower 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. By tuning the charge carrier concentration, a crossover between a surface-state-dominant and a Fuchs-Sondheimer transport regime is achieved. The calculations are corroborated by thermoelectric transport measurements on Sb\(_2\)Te\(_3\) films grown by atomic layer deposition.
ISSN:2331-8422
DOI:10.48550/arxiv.1503.08442