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Thermal Conductivity and Phonon Transport Properties of Silicon Using Perturbation Theory and the Environment-Dependent Interatomic Potential

[+] Author Affiliations
José A. Pascual-Gutiérrez, Jayathi Y. Murthy, Raymond Viskanta

Purdue University, West Lafayette, IN

Paper No. IMECE2009-12934, pp. 1755-1767; 13 pages
  • ASME 2009 International Mechanical Engineering Congress and Exposition
  • Volume 9: Heat Transfer, Fluid Flows, and Thermal Systems, Parts A, B and C
  • Lake Buena Vista, Florida, USA, November 13–19, 2009
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-4382-6 | eISBN: 978-0-7918-3863-1
  • Copyright © 2009 by ASME


Perturbation theory is used to compute the strength of three-phonon and isotope scattering mechanisms in silicon using the Environment-Dependent Interatomic Potential (EDIP) without resorting to any parameter-fitting. A detailed methodology to accurately find three-phonon processes satisfying energy- and momentum-conservation rules is described. Bulk silicon thermal conductivity values are computed across a range of temperatures and shown to match experimental data well. It is found that about two-thirds of the heat transport in bulk silicon may be attributed to transverse acoustic modes. Effective relaxation times and mean free paths are computed in order to provide a more complete picture of the detailed transport mechanisms and for use with carrier transport models based on the Boltzmann transport equation.

Copyright © 2009 by ASME



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