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  Demonstration of valley anisotropy utilized to enhance the thermoelectric power factor

Li, A., Hu, C., He, B., Yao, M., Fu, C., Wang, Y., et al. (2021). Demonstration of valley anisotropy utilized to enhance the thermoelectric power factor. Nature Communications, 12: 5408, pp. 1-9. doi:10.1038/s41467-021-25722-0.

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 Creators:
Li, Airan1, Author
Hu, Chaoliang1, Author
He, Bin1, Author
Yao, Mengyu2, Author              
Fu, Chenguang1, Author
Wang, Yuechu1, Author
Zhao, Xinbing1, Author
Felser, Claudia3, Author              
Zhu, Tiejun1, 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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 Abstract: Valley anisotropy is proposed theoretically to benefit the electrical transport of thermoelectric materials but it lacks experimental demonstration. Here, the authors demonstrate how to utilize the single anisotropic Fermi pocket in p-type Mg3Sb2 to enhance its thermoelectric properties. Valley anisotropy is a favorable electronic structure feature that could be utilized for good thermoelectric performance. Here, taking advantage of the single anisotropic Fermi pocket in p-type Mg3Sb2, a feasible strategy utilizing the valley anisotropy to enhance the thermoelectric power factor is demonstrated by synergistic studies on both single crystals and textured polycrystalline samples. Compared to the heavy-band direction, a higher carrier mobility by a factor of 3 is observed along the light-band direction, while the Seebeck coefficient remains similar. Together with lower lattice thermal conductivity, an increased room-temperature zT by a factor of 3.6 is found. Moreover, the first-principles calculations of 66 isostructural Zintl phase compounds are conducted and 9 of them are screened out displaying a p(z)-orbital-dominated valence band, similar to Mg3Sb2. In this work, we experimentally demonstrate that valley anisotropy is an effective strategy for the enhancement of thermoelectric performance in materials with anisotropic Fermi pockets.

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Language(s): eng - English
 Dates: 2021-09-172021-09-17
 Publication Status: Published in print
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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: 12 Sequence Number: 5408 Start / End Page: 1 - 9 Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723