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  Electronic structure and low-temperature thermoelectric transport of TiCoSb single crystals

Serrano-Sanchez, F., Yao, M., He, B., Chen, D., Gloskovskii, A., Fedorov, A., et al. (2022). Electronic structure and low-temperature thermoelectric transport of TiCoSb single crystals. Nanoscale, 1-8. doi:10.1039/d2nr02556f.

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 Creators:
Serrano-Sanchez, Federico1, Author           
Yao, Mengyu1, Author           
He, Bin1, Author           
Chen, Dong1, Author           
Gloskovskii, Andrei2, Author
Fedorov, Alexander2, Author
Auffermann, Gudrun3, Author           
Liu, Enke2, Author
Burkhardt, Ulrich4, Author           
Fecher, Gerhard H.5, Author           
Fu, Chenguang1, Author           
Felser, Claudia6, Author           
Pan, Yu1, Author           
Affiliations:
1Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863425              
2External Organizations, ou_persistent22              
3Gudrun Auffermann, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863432              
4Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
5Gerhard Fecher, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863431              
6Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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 Abstract: Band structure engineering has a strong beneficial impact on thermoelectric performance, where theoretical methods dominate the investigation of electronic structures. Here, we use angle-resolved photoemission spectroscopy (ARPES) to analyze the electronic structure and report on the thermoelectric transport properties of half-Heusler TiCoSb high-quality single crystals. High degeneracy of the valence bands at the L and Gamma band maximum points was observed, which provides a band-convergence scenario for the thermoelectric performance of TiCoSb. Previous efforts have shown how crystallographic defects play an important role in TiCoSb transport properties, while the intrinsic properties remain elusive. Using hard X-ray photoelectron spectroscopy (HAXPES), we discard the presence of interstitial defects that could induce in-gap states near the valence band in our crystals. Contrary to polycrystalline reports, intrinsic TiCoSb exhibits p-type transport, albeit defects still affect the carrier concentration. In two initially identical p-type TiCoSb crystal batches, distinct metallic and semiconductive behaviors were found owing to defects not noticeable by elemental analysis. A varying Seebeck effective mass is consistent with the change at the Fermi level within this band convergence picture. This report tackles the direct investigation of the electronic structure of TiCoSb and reveals new insights and the strong impact of point defects on the optimization of thermoelectric properties.

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Language(s): eng - English
 Dates: 2022-06-212022-06-21
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000821133500001
DOI: 10.1039/d2nr02556f
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Title: Nanoscale
  Abbreviation : Nanoscale
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: - Sequence Number: - Start / End Page: 1 - 8 Identifier: ISSN: 2040-3364
CoNE: https://pure.mpg.de/cone/journals/resource/2040-3364