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research article

Unified theory of thermal transport in crystals and glasses

Simoncelli, Michele  
•
Marzari, Nicola  
•
Mauri, Francesco
August 1, 2019
Nature Physics

Crystals and glasses exhibit fundamentally different heat conduction mechanisms: the periodicity of crystals allows for the excitation of propagating vibrational waves that carry heat, as first discussed by Peierls, while in glasses the lack of periodicity breaks Peierls's picture and heat is mainly carried by the coupling of vibrational modes, often described by a harmonic theory introduced by Allen and Feldman. Anharmonicity or disorder are thus the limiting factors for thermal conductivity in crystals or glasses. Hitherto, no transport equation has been able to account for both. Here, we derive such an equation, resulting in a thermal conductivity that reduces to the Peierls and Allen-Feldman limits, respectively, in anharmonic crystals or harmonic glasses, while also covering the intermediate regimes where both effects are relevant. This approach also solves the long-standing problem of accurately predicting the thermal properties of crystals with ultralow or glass-like thermal conductivity, as we show with an application to a thermoelectric material representative of this class.

  • Details
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Type
research article
DOI
10.1038/s41567-019-0520-x
Web of Science ID

WOS:000478082100028

Author(s)
Simoncelli, Michele  
Marzari, Nicola  
Mauri, Francesco
Date Issued

2019-08-01

Publisher

NATURE PUBLISHING GROUP

Published in
Nature Physics
Volume

15

Issue

8

Start page

809

End page

813

Subjects

Physics, Multidisciplinary

•

Physics

•

phonon boltzmann-equation

•

conductivity

•

solver

•

model

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
THEOS  
Available on Infoscience
August 13, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/159708
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