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Title: Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb

Abstract

Low thermal conductivity is favorable for preserving the temperature gradient between the two ends of a thermoelectric material, in order to ensure continuous electron current generation. In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic in PbTe and SnSe, and phonon scattering resulting from the dynamic disorder in AgCrSe2 and CuCrSe2, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phononanharmonic-induced ultralow lattice thermal conductivity in α-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the compound’s intrinsic distorted rocksalt sublattice, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in α-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3];  [4]; ORCiD logo [5]; ORCiD logo [5]; ORCiD logo [6];  [7]; ORCiD logo [7];  [8]; ORCiD logo [2];  [2];  [9];  [10]; ORCiD logo [11]; ORCiD logo [2];  [12];  [13]; ORCiD logo [14]
  1. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics; Songshan Lake Materials Laboratory, Dongguan (China); City Univ. of Hong Kong (Hong Kong). Dept. of Physics; Univ. of Chinese Academy of Sciences, Beijing (China). School of Physical Sciences
  2. Spallation Neutron Source Science Center, Dongguan (China)
  3. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics; Univ. of Chinese Academy of Sciences, Beijing (China). School of Physical Sciences
  4. Songshan Lake Materials Laboratory, Dongguan (China)
  5. Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source
  6. Australian Nuclear Science and Technology Organisation (ANSTO), Lucas Heights, NSW (Australia)
  7. High Energy Accelerator Research Organization (KEK), Tsukuba (Japan). Inst. of Materials Structure Science
  8. Japan Atomic Energy Agency (JAEA), Tokai (Japan). Japan Proton Accelerator Research Complex
  9. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics; Spallation Neutron Source Science Center, Dongguan (China)
  10. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division
  11. City Univ. of Hong Kong (Hong Kong). Dept. of Physics
  12. Univ. of Houston, TX (United States). Dept. of Physics. TcSUH
  13. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics
  14. Chinese Academy of Sciences (CAS), Beijing (China). Inst. of Physics. Beijing National Lab. for Condensed Matter Physics; Songshan Lake Materials Laboratory, Dongguan (China); City Univ. of Hong Kong (Hong Kong). Dept. of Physics; City Univ. of Hong Kong (Hong Kong). Dept. of Physics
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), High Energy Physics (HEP)
OSTI Identifier:
1629018
Alternate Identifier(s):
OSTI ID: 1781000
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 11; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Condensed-matter physics; thermoelectrics

Citation Formats

Li, Xiyang, Liu, Peng-Fei, Zhao, Enyue, Zhang, Zhigang, Guidi, Tatiana, Le, Manh Duc, Avdeev, Maxim, Ikeda, Kazutaka, Otomo, Toshiya, Kofu, Maiko, Nakajima, Kenji, Chen, Jie, He, Lunhua, Ren, Yang, Wang, Xun-Li, Wang, Bao-Tian, Ren, Zhifeng, Zhao, Huaizhou, and Wang, Fangwei. Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb. United States: N. p., 2020. Web. doi:10.1038/s41467-020-14772-5.
Li, Xiyang, Liu, Peng-Fei, Zhao, Enyue, Zhang, Zhigang, Guidi, Tatiana, Le, Manh Duc, Avdeev, Maxim, Ikeda, Kazutaka, Otomo, Toshiya, Kofu, Maiko, Nakajima, Kenji, Chen, Jie, He, Lunhua, Ren, Yang, Wang, Xun-Li, Wang, Bao-Tian, Ren, Zhifeng, Zhao, Huaizhou, & Wang, Fangwei. Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb. United States. https://doi.org/10.1038/s41467-020-14772-5
Li, Xiyang, Liu, Peng-Fei, Zhao, Enyue, Zhang, Zhigang, Guidi, Tatiana, Le, Manh Duc, Avdeev, Maxim, Ikeda, Kazutaka, Otomo, Toshiya, Kofu, Maiko, Nakajima, Kenji, Chen, Jie, He, Lunhua, Ren, Yang, Wang, Xun-Li, Wang, Bao-Tian, Ren, Zhifeng, Zhao, Huaizhou, and Wang, Fangwei. Tue . "Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb". United States. https://doi.org/10.1038/s41467-020-14772-5. https://www.osti.gov/servlets/purl/1629018.
@article{osti_1629018,
title = {Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline α-MgAgSb},
author = {Li, Xiyang and Liu, Peng-Fei and Zhao, Enyue and Zhang, Zhigang and Guidi, Tatiana and Le, Manh Duc and Avdeev, Maxim and Ikeda, Kazutaka and Otomo, Toshiya and Kofu, Maiko and Nakajima, Kenji and Chen, Jie and He, Lunhua and Ren, Yang and Wang, Xun-Li and Wang, Bao-Tian and Ren, Zhifeng and Zhao, Huaizhou and Wang, Fangwei},
abstractNote = {Low thermal conductivity is favorable for preserving the temperature gradient between the two ends of a thermoelectric material, in order to ensure continuous electron current generation. In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic in PbTe and SnSe, and phonon scattering resulting from the dynamic disorder in AgCrSe2 and CuCrSe2, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phononanharmonic-induced ultralow lattice thermal conductivity in α-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the compound’s intrinsic distorted rocksalt sublattice, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in α-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.},
doi = {10.1038/s41467-020-14772-5},
journal = {Nature Communications},
number = 1,
volume = 11,
place = {United States},
year = {Tue Feb 18 00:00:00 EST 2020},
month = {Tue Feb 18 00:00:00 EST 2020}
}

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