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Orbitally driven giant phonon anharmonicity in SnSe

Publication ,  Journal Article
Li, CW; Hong, J; May, AF; Bansal, D; Chi, S; Hong, T; Ehlers, G; Delaire, O
Published in: Nature Physics
December 1, 2015

Understanding elementary excitations and their couplings in condensed matter systems is critical for developing better energy-conversion devices. In thermoelectric materials, the heat-to-electricity conversion efficiency is directly improved by suppressing the propagation of phonon quasiparticles responsible for macroscopic thermal transport. The current record material for thermoelectric conversion efficiency, SnSe, has an ultralow thermal conductivity, but the mechanism behind the strong phonon scattering remains largely unknown. From inelastic neutron scattering measurements and first-principles simulations, we mapped the four-dimensional phonon dispersion surfaces of SnSe, and found the origin of the ionic-potential anharmonicity responsible for the unique properties of SnSe. We show that the giant phonon scattering arises from an unstable electronic structure, with orbital interactions leading to a ferroelectric-like lattice instability. The present results provide a microscopic picture connecting electronic structure and phonon anharmonicity in SnSe, and offers new insights on how electron-phonon and phonon-phonon interactions may lead to the realization of ultralow thermal conductivity.

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Published In

Nature Physics

DOI

EISSN

1745-2481

ISSN

1745-2473

Publication Date

December 1, 2015

Volume

11

Issue

12

Start / End Page

1063 / 1069

Related Subject Headings

  • Fluids & Plasmas
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

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Li, C. W., Hong, J., May, A. F., Bansal, D., Chi, S., Hong, T., … Delaire, O. (2015). Orbitally driven giant phonon anharmonicity in SnSe. Nature Physics, 11(12), 1063–1069. https://doi.org/10.1038/nphys3492
Li, C. W., J. Hong, A. F. May, D. Bansal, S. Chi, T. Hong, G. Ehlers, and O. Delaire. “Orbitally driven giant phonon anharmonicity in SnSe.” Nature Physics 11, no. 12 (December 1, 2015): 1063–69. https://doi.org/10.1038/nphys3492.
Li CW, Hong J, May AF, Bansal D, Chi S, Hong T, et al. Orbitally driven giant phonon anharmonicity in SnSe. Nature Physics. 2015 Dec 1;11(12):1063–9.
Li, C. W., et al. “Orbitally driven giant phonon anharmonicity in SnSe.” Nature Physics, vol. 11, no. 12, Dec. 2015, pp. 1063–69. Scopus, doi:10.1038/nphys3492.
Li CW, Hong J, May AF, Bansal D, Chi S, Hong T, Ehlers G, Delaire O. Orbitally driven giant phonon anharmonicity in SnSe. Nature Physics. 2015 Dec 1;11(12):1063–1069.

Published In

Nature Physics

DOI

EISSN

1745-2481

ISSN

1745-2473

Publication Date

December 1, 2015

Volume

11

Issue

12

Start / End Page

1063 / 1069

Related Subject Headings

  • Fluids & Plasmas
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences