First principles Kinetic-Collective thermal conductivity of semiconductors

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 have good agreement with experimental data without the use of any fitti...

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Bibliographic Details
Published inarXiv.org
Main Authors Torres, P, Torello, A, Bafaluy, J, Camacho, J, Cartoixà, X, Alvarez, F X
Format Paper Journal Article
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 23.09.2016
Subjects
Diamonds
First principles
Germanium
Heat conductivity
Heat transfer
Physics - Materials Science
Silicon
Thermal conductivity
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Summary: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 have good agreement with experimental data without the use of any fitting parameter. This validation of the model 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.
ISSN:2331-8422
DOI:10.48550/arxiv.1606.01149