Microscopic mechanism of low thermal conductivity in lead telluride

Shiga, Takuma; Shiomi, Junichiro; Ma, Jie; Delaire, Olivier; Radzynski, Tomasz; Lusakowski, Andrzej; Esfarjani, Keivan; Chen, Gang

doi:10.1103/PhysRevB.85.155203

Title: Microscopic mechanism of low thermal conductivity in lead telluride

Journal Article · Tue Apr 10 00:00:00 EDT 2012 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.85.155203· OSTI ID:1067083

Shiga, Takuma ^[1]; Shiomi, Junichiro ^[2]; Ma, Jie ^[3]; Delaire, Olivier ^[3]; Radzynski, Tomasz ^[4]; Lusakowski, Andrzej ^[4]; Esfarjani, Keivan ^[5]; Chen, Gang ^[5]

Univ. of Tokyo (Japan). Dept. of Mechanical Engineering
Univ. of Tokyo (Japan). Dept. of Mechanical Engineering; Japan Science and Technology Agency (JST), Kawaguchi (Japan)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Science Division
Polish Academy of Sciences (PAS), Warsaw (Poland). Inst. of Physics
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering

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.

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Research Organization:: 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 Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Japan Science and Technology Agency (JST)

Grant/Contract Number:: SC0001299; FG02-09ER46577

OSTI ID:: 1067083

Alternate ID(s):: OSTI ID: 1098701

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 85, Issue 15; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 111 works

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