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Title: Microscopic mechanism of low thermal conductivity in lead telluride

Abstract

The microscopic physics behind low-lattice thermal conductivity of single-crystal rock salt lead telluride (PbTe) is investigated here. Mode-dependent phonon (normal and umklapp) scattering rates and their impact on thermal conductivity were quantified by first-principles-based anharmonic lattice dynamics calculations that accurately reproduce thermal conductivity in a wide temperature range. The low thermal conductivity of PbTe is attributed to the scattering of longitudinal acoustic phonons by transverse optical phonons with large anharmonicity and small group velocity of the soft transverse acoustic phonons. This results in enhancing the relative contribution of optical phonons, which are usually minor heat carriers in bulk materials.

Authors:
 [1];  [2];  [3];  [3];  [4];  [4];  [5];  [5]
+ Show Author Affiliations
  1. Univ. of Tokyo (Japan). Dept. of Mechanical Engineering
  2. Univ. of Tokyo (Japan). Dept. of Mechanical Engineering; Japan Science and Technology Agency (JST), Kawaguchi (Japan)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Science Division
  4. Polish Academy of Sciences (PAS), Warsaw (Poland). Inst. of Physics
  5. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Univ. of Tokyo (Japan)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Japan Science and Technology Agency (JST)
OSTI Identifier:
1067083
Alternate Identifier(s):
OSTI ID: 1098701
Grant/Contract Number:  
SC0001299; FG02-09ER46577
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 85; Journal Issue: 15; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Shiga, Takuma, Shiomi, Junichiro, Ma, Jie, Delaire, Olivier, Radzynski, Tomasz, Lusakowski, Andrzej, Esfarjani, Keivan, and Chen, Gang. Microscopic mechanism of low thermal conductivity in lead telluride. United States: N. p., 2012. Web. doi:10.1103/PhysRevB.85.155203.
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Shiga, Takuma, Shiomi, Junichiro, Ma, Jie, Delaire, Olivier, Radzynski, Tomasz, Lusakowski, Andrzej, Esfarjani, Keivan, & Chen, Gang. Microscopic mechanism of low thermal conductivity in lead telluride. United States. https://doi.org/10.1103/PhysRevB.85.155203
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Shiga, Takuma, Shiomi, Junichiro, Ma, Jie, Delaire, Olivier, Radzynski, Tomasz, Lusakowski, Andrzej, Esfarjani, Keivan, and Chen, Gang. Tue . "Microscopic mechanism of low thermal conductivity in lead telluride". United States. https://doi.org/10.1103/PhysRevB.85.155203. https://www.osti.gov/servlets/purl/1067083.
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@article{osti_1067083,
title = {Microscopic mechanism of low thermal conductivity in lead telluride},
author = {Shiga, Takuma and Shiomi, Junichiro and Ma, Jie and Delaire, Olivier and Radzynski, Tomasz and Lusakowski, Andrzej and Esfarjani, Keivan and Chen, Gang},
abstractNote = {The microscopic physics behind low-lattice thermal conductivity of single-crystal rock salt lead telluride (PbTe) is investigated here. Mode-dependent phonon (normal and umklapp) scattering rates and their impact on thermal conductivity were quantified by first-principles-based anharmonic lattice dynamics calculations that accurately reproduce thermal conductivity in a wide temperature range. The low thermal conductivity of PbTe is attributed to the scattering of longitudinal acoustic phonons by transverse optical phonons with large anharmonicity and small group velocity of the soft transverse acoustic phonons. This results in enhancing the relative contribution of optical phonons, which are usually minor heat carriers in bulk materials.},
doi = {10.1103/PhysRevB.85.155203},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 15,
volume = 85,
place = {United States},
year = {Tue Apr 10 00:00:00 EDT 2012},
month = {Tue Apr 10 00:00:00 EDT 2012}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.85.155203
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Cited by: 111 works
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Figures / Tables:

FIG. 1 FIG. 1: (Color online) (a) Phonon dispersion relations of PbTe along Γ-X-K-Γ-L symmetry lines. Red open and blue filled circles indicate transverse and longitudinal modes, respectively, from inelastic neutron scattering (INS) experiments at 300 K.(b) The mode-Grüneisen parameters.
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    Chalcogenide Thermoelectrics Empowered by an Unconventional Bonding Mechanism
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      Figures / Tables found in this record:

      FIG. 1 (p. 3)figure
      Figure-1 (p. 3)figure
      FIG. 2 (p. 4)figure
      FIG. 2 (p. 4)figure
      FIG. 3 (p. 4)figure
      FIG. 4 (p. 4)figure
      TABLE I (p. 5)table
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