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On the applicability of the single parabolic band model to advanced thermoelectric materials with complex band structures

de Boor, Johannes (2020) On the applicability of the single parabolic band model to advanced thermoelectric materials with complex band structures. Journal of Materiomics. Chinese Ceramic Society. doi: 10.1016/j.jmat.2020.10.013. ISSN 2352-8478.

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Abstract

Due to the complex interplay between composition, synthesis parameters and the performance of thermoelectric materials, the optimization of thermoelectric materials needs to be complemented by modelling. A relatively simple and thus popular approach is the so called single parabolic band model, which allows for an efficient optimization of the material properties and a benchmarking of different materials based on relatively few, well available experimental results. As complex band structures are common for high performance materials, single parabolic band modelling is also employed with apparent success for material systems the underlying assumptions are not well fulfilled. In order to assess the validity of a single parabolic band analysis for such systems, the thermoelectric properties for two model systems are calculated: one with a single band that is twofold degenerate and one with a light and a heavy band. Even if the density of states masses and are kept identical, the transport properties and in particular the Hall coefficients differ significantly, which leads to an incorrectly determined carrier concentration. As the carrier concentration is the base for the single parabolic band analysis, all the quantities obtained from it (optimum carrier concentration, effective mass, deformation potential) are determined incorrectly as well.

Item URL in elib:https://elib.dlr.de/140356/
Document Type:Article
Title:On the applicability of the single parabolic band model to advanced thermoelectric materials with complex band structures
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
de Boor, JohannesGerman aerospace center, institute of materials research, köln, germanyhttps://orcid.org/0000-0002-1868-3167
Date:30 October 2020
Journal or Publication Title:Journal of Materiomics
Refereed publication:Yes
Open Access:Yes
Gold Open Access:Yes
In SCOPUS:Yes
In ISI Web of Science:Yes
DOI :10.1016/j.jmat.2020.10.013
Publisher:Chinese Ceramic Society
ISSN:2352-8478
Status:Published
Keywords:Thermoelectrics; electrical transport; single parabolic band model
HGF - Research field:Energy
HGF - Program:Storage and Cross-linked Infrastructures
HGF - Program Themes:Thermal Energy Storage
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Thermochemical Processes (Storage) (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Research > Thermoelectric Materials and Systems
Deposited By: Frank, Adina
Deposited On:14 Jan 2021 07:52
Last Modified:14 Jan 2021 07:52

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