Intrinsic anharmonic localization in thermoelectric PbSe

Manley, Michael E.; Hellman, O.; Shulumba, Nina; May, Andrew F.; Stonaha, Paul J.; Lynn, Jeffrey; Garlea, Vasile O.; Alatas, Ahmet; Hermann, Raphael P.; Budai, John D.; Wang, Hsin; Sales, Brian C.; Minnich, Austin

doi:10.1038/s41467-019-09921-4

Title: Intrinsic anharmonic localization in thermoelectric PbSe

Journal Article · 26 April 2019 · Nature Communications

DOI: https://doi.org/10.1038/s41467-019-09921-4 · OSTI ID:1511918

^[1]; Hellman, O. ^[2]; Shulumba, Nina ^[2];

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^[1]; Minnich, Austin ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
California Inst. of Technology (CalTech), Pasadena, CA (United States). Division of Engineering and Applied Science
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Lead chalcogenides have exceptional thermoelectric properties and intriguing anharmonic lattice dynamics underlying their low thermal conductivities. An ideal material for thermoelectric efficiency is the phonon glass–electron crystal, which drives research on strategies to scatter or localize phonons while minimally disrupting electronic-transport. Anharmonicity can potentially do both, even in perfect crystals, and simulations suggest that PbSe is anharmonic enough to support intrinsic localized modes that halt transport. Here, we experimentally observe high-temperature localization in PbSe using neutron scattering but find that localization is not limited to isolated modes – zero group velocity develops for a significant section of the transverse optic phonon on heating above a transition in the anharmonic dynamics. Arrest of the optic phonon propagation coincides with unusual sharpening of the longitudinal acoustic mode due to a loss of phase space for scattering. Our study shows how nonlinear physics beyond conventional anharmonic perturbations can fundamentally alter vibrational transport properties.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Defense Advanced Research Projects Agency (DARPA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Institute of Standards and Technology (NIST); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); U.S. Department of Defense (DOD), Defense Advanced Research Projects Agency (DARPA)

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357; HR0011-15-2-0039

OSTI ID:: 1511918

Alternate ID(s):: OSTI ID: 1512254

Journal Information:: Nature Communications, Vol. 10, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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