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Phonon Self-Energy ...
Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics
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- Li, C.W. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Hellman, Olle (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Ma, J. (author)
- Oak Ridge National Lab, TN 37831 USA
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- May, A.F. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Cao, H.B. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Chen, X. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Christianson, A.D. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Ehlers, G. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Singh, D.J. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Sales, B.C. (author)
- Oak Ridge National Lab, TN 37831 USA
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- Delaire, O. (author)
- Oak Ridge National Lab, TN 37831 USA
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(creator_code:org_t)
- American Physical Society, 2014
- 2014
- English.
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In: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 112:17, s. 175501-
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer to the ferroelectric instability, phonon spectra in PbTe exhibit a more anharmonic character. This behavior is reproduced in first-principles calculations of the temperature-dependent phonon self-energy. Our simulations reveal how the nesting of phonon dispersions induces prominent features in the self-energy, which account for the measured INS spectra and their temperature dependence. We establish that the phase space for three-phonon scattering processes, combined with the proximity to the lattice instability, is the mechanism determining the complex spectrum of the transverse-optic ferroelectric mode.
Keyword
- TECHNOLOGY
- TEKNIKVETENSKAP
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Li, C.W.
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Hellman, Olle
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Ma, J.
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May, A.F.
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Cao, H.B.
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Chen, X.
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show more...
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Christianson, A. ...
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Ehlers, G.
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Singh, D.J.
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Sales, B.C.
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Delaire, O.
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show less...
- Articles in the publication
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Physical Review ...
- By the university
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Linköping University