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  Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials

Ren, Q., Fu, C., Qiu, q., Dai, S., Liu, Z., Masuda, T., et al. (2020). Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials. Nature Communications, 11: 3142, pp. 1-9. doi:10.1038/s41467-020-16913-2.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0006-A31A-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-A31C-3
Genre: Journal Article

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 Creators:
Ren, Qingyong1, Author
Fu, Chenguang2, Author              
Qiu, qinyi1, Author
Dai, Shengnan1, Author
Liu, Zheyuan1, Author
Masuda, Takatsugu1, Author
Asai, Shinichiro1, Author
Hagihala, Masato1, Author
Lee, Sanghyun1, Author
Torri, Shuki1, Author
Kamiyama, Takashi1, Author
He, Lunhua1, Author
Tong, Xin1, Author
Felser, Claudia3, Author              
Singh, David J.1, Author
Zhu, Tiejun1, Author
Yang, Jiong1, Author
Ma, Jie1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
3Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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Free keywords: diagram, electric field, neutron scattering, optimization, performance assessment, thermal conductivity, zircon, article, calculation, doping, grain, ionization, neutron scattering, phonon, thermal conductivity
 Abstract: Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but there can potentially be other important effects. Here, we show that chemical doping plays multiple roles for both electron and phonon transport properties in half-Heusler thermoelectric materials. With ZrNiSn-based half-Heusler materials as an example, we use high-quality single and polycrystalline crystals, various probes, including electrical transport measurements, inelastic neutron scattering measurement, and first-principles calculations, to investigate the underlying electron-phonon interaction. We find that chemical doping brings strong screening effects to ionized impurities, grain boundary, and polar optical phonon scattering, but has negligible influence on lattice thermal conductivity. Furthermore, it is possible to establish a carrier scattering phase diagram, which can be used to select reasonable strategies for optimization of the thermoelectric performance. © 2020, The Author(s).

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Language(s): eng - English
 Dates: 2020-06-192020-06-19
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1038/s41467-020-16913-2
 Degree: -

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Title: Nature Communications
  Abbreviation : Nat. Commun.
Source Genre: Journal
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Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 11 Sequence Number: 3142 Start / End Page: 1 - 9 Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723