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  Revealing the Intrinsic Electronic Structure of 3D Half-Heusler Thermoelectric Materials by Angle-Resolved Photoemission Spectroscopy

Fu, C., Yao, M., Chen, X., Maulana, L. Z., Li, X., Yang, J., et al. (2019). Revealing the Intrinsic Electronic Structure of 3D Half-Heusler Thermoelectric Materials by Angle-Resolved Photoemission Spectroscopy. Advanced Science, 1902409, pp. 1-8. doi:https://doi.org/10.1002/advs.201902409.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0005-0CB4-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0005-0FD0-0
Genre: Journal Article
Alternative Title : Advanced Science

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 Creators:
Fu, Chenguang1, Author              
Yao, Mengyu1, Author              
Chen, Xi2, Author
Maulana, Lucky Zaehir2, Author
Li, Xin2, Author
Yang, Jiong2, Author
Imasato, Kazuki2, Author
Zhu, Fengfeng2, Author
Li, Guowei1, Author              
Auffermann, Gudrun3, Author              
Burkhardt, Ulrich4, Author              
Schnelle, Walter5, Author              
Zhou, Jianshi2, Author
Zhu, Tiejun2, Author
Zhao, Xinbing2, Author
Shi, Ming2, Author
Dressel, Martin2, Author
Pronin, Artem V.2, Author
Snyder, G. Jeffrey2, Author
Felser, Claudia6, 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              
5Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
6Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863429              

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Free keywords: bandgap, electronic structure, half-Heusler compounds, thermoelectric properties
 Abstract: Abstract Accurate determination of the intrinsic electronic structure of thermoelectric materials is a prerequisite for utilizing an electronic band engineering strategy to improve their thermoelectric performance. Herein, with high-resolution angle-resolved photoemission spectroscopy (ARPES), the intrinsic electronic structure of the 3D half-Heusler thermoelectric material ZrNiSn is revealed. An unexpectedly large intrinsic bandgap is directly observed by ARPES and is further confirmed by electrical and optical measurements and first-principles calculations. Moreover, a large anisotropic conduction band with an anisotropic factor of 6 is identified by ARPES and attributed to be one of the most important reasons leading to the high thermoelectric performance of ZrNiSn. These successful findings rely on the grown high-quality single crystals, which have fewer Ni interstitial defects and negligible in-gap states on the electronic structure. This work demonstrates a realistic paradigm to investigate the electronic structure of 3D solid materials by using ARPES and provides new insights into the intrinsic electronic structure of the half-Heusler system benefiting further optimization of thermoelectric performance.

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Language(s): eng - English
 Dates: 2019-11-062019-11-06
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
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Title: Advanced Science
  Other : Adv. Sci.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: - Sequence Number: 1902409 Start / End Page: 1 - 8 Identifier: Other: 2198-3844
CoNE: https://pure.mpg.de/cone/journals/resource/2198-3844