First principles kinetic-collective thermal conductivity of semiconductors

P. Torres; A. Torelló; J. Bafaluy; J. Camacho; X. Cartoixà; Francesc Xavier Alvarez Calafell

doi:10.1103/PhysRevB.95.165407

First principles kinetic-collective thermal conductivity of semiconductors

P. Torres, A. Torelló, J. Bafaluy, J. Camacho, X. Cartoixà, Francesc Xavier Alvarez Calafell

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Abstract

© 2017 American Physical Society. A fully predictive kinetic-collective model using first principles phonon spectra and relaxation times is presented. Thermal conductivity values obtained for Si, Ge, C (diamond), and GaAs in a wide range of sizes and temperatures are in good agreement with experimental data without the use of any fitting parameter. These results open the door to discuss how the precise combination of kinetic and collective contributions to heat transport could provide a useful framework to interpret recent complex experiments displaying non-Fourier behavior.

Original language	English
Article number	165407
Journal	Physical Review B
Volume	95
Issue number	16
DOIs	https://doi.org/10.1103/PhysRevB.95.165407
Publication status	Published - 7 Apr 2017

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abstract = "{\textcopyright} 2017 American Physical Society. A fully predictive kinetic-collective model using first principles phonon spectra and relaxation times is presented. Thermal conductivity values obtained for Si, Ge, C (diamond), and GaAs in a wide range of sizes and temperatures are in good agreement with experimental data without the use of any fitting parameter. These results open the door to discuss how the precise combination of kinetic and collective contributions to heat transport could provide a useful framework to interpret recent complex experiments displaying non-Fourier behavior.",

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AU - Camacho, J.

AU - Cartoixà, X.

AU - Alvarez Calafell, Francesc Xavier

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AB - © 2017 American Physical Society. A fully predictive kinetic-collective model using first principles phonon spectra and relaxation times is presented. Thermal conductivity values obtained for Si, Ge, C (diamond), and GaAs in a wide range of sizes and temperatures are in good agreement with experimental data without the use of any fitting parameter. These results open the door to discuss how the precise combination of kinetic and collective contributions to heat transport could provide a useful framework to interpret recent complex experiments displaying non-Fourier behavior.

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M3 - Article

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First principles kinetic-collective thermal conductivity of semiconductors

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