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First principles kinetic-collective thermal conductivity of semiconductors

MetadataDetails
Publication Date2017-04-07
JournalPhysical review. B./Physical review. B
AuthorsPol Torres, Àlvar Torelló, J. Bafaluy, J. Camacho, Xavier Cartoixà
InstitutionsUniversitat Autònoma de Barcelona
Citations61

A fully predictive Kinetic Collective Model using first principles phonon\nspectra and relaxation times is presented. Thermal conductivity values obtained\nfor Si, Ge, C (diamond) and GaAs in a wide range of sizes and temperatures have\ngood agreement with experimental data without the use of any fitting parameter.\nThis validation of the model open the door to discuss how the precise\ncombination of kinetic and collective contributions to heat transport could\nprovide a useful framework to interpret recent complex experiments displaying\nnon-Fourier behavior.\n

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