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Ultra-high thermoelectric power factors in narrow gap materials with asymmetric bands

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Graziosi, Patrizio and Neophytou, Neophytos (2020) Ultra-high thermoelectric power factors in narrow gap materials with asymmetric bands. The Journal of Physical Chemistry C, 124 (34). pp. 18462-18473. doi:10.1021/acs.jpcc.0c05457 ISSN 1932-7447.

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Official URL: http://dx.doi.org/10.1021/acs.jpcc.0c05457

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Abstract

We theoretically unveil the unconventional possibility of achieving extremely high thermoelectric power factors in lightly doped narrow gap semiconductors with asymmetric conduction/valence bands operated in the bipolar transport regime. Specifically, using Boltzmann transport simulations, we show that narrow band gap materials, rather than suffering from performance degradation due to bipolar conduction, if they possess highly asymmetric conduction and valence bands in terms of either effective masses, density of states, or phonon scattering rates, then they can deliver very high power factors. We show that this is achieved because, under these conditions, electronic transport becomes phonon scattering-limited, rather than ionized impurity scattering-limited, which allows large conductivities. We explain why this effect has not been observed so far in the known narrow-gap semiconductors, interpret some recent related experimental findings, and propose a few examples from the half-Heusler materials family, for which this effect can be observed and power factors even up to 50 mW/mK2 can be reached.

Item Type: Journal Article
Subjects: Q Science > QC Physics
Divisions: Faculty of Science, Engineering and Medicine > Engineering > Engineering
Library of Congress Subject Headings (LCSH): Thermoelectricity , Low-dimensional semiconductors , Transport theory, Phonons -- Scattering
Journal or Publication Title: The Journal of Physical Chemistry C
Publisher: American Chemical Society
ISSN: 1932-7447
Official Date: 27 August 2020
Dates:
DateEvent
27 August 2020Published
17 August 2020Available
31 July 2020Accepted
Volume: 124
Number: 34
Page Range: pp. 18462-18473
DOI: 10.1021/acs.jpcc.0c05457
Status: Peer Reviewed
Publication Status: Published
Reuse Statement (publisher, data, author rights): This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jpcc.0c05457
Access rights to Published version: Restricted or Subscription Access
Date of first compliant deposit: 18 August 2020
Date of first compliant Open Access: 17 August 2021
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
788465Marie Curiehttp://dx.doi.org/10.13039/501100000654
678763[ERC] Horizon 2020 Framework Programmehttp://dx.doi.org/10.13039/100010661

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