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First principles Kinetic-Collective thermal conductivity of semiconductors

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arxiv 1606.01149 v2 pith:IAXWOAVH submitted 2016-06-03 cond-mat.mtrl-sci

P. Torres , A. Torello , J. Bafaluy , J. Camacho , X. Cartoixà , F. X. Alvarez This is my paper
classification cond-mat.mtrl-sci
keywords collectiveconductivityfirstkineticmodelprinciplesthermalagreement
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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.

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