Phonon scattering in doped silicon by molecular dynamics simulation

M. Yao, T. Watanabe, S. R. Phillpot, P. K. Schelling, P. Keblinski, D. G. Cahill

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular dynamics simulation is used to study the scattering of phonon wave packets of well-defined frequency from a field of point defects in silicon crystal. For simplicity, and to connect as closely as possible with classic theories, the defects differ from the Si only in their mass. The dopant atoms are randomly distributed in the middle region of simulation system along z direction. The phonon wave packet propagation and scattering in the doped region are explicitly determined at the atomic level. We quantitatively analyze the relative amounts of energies in the transmitted and reflected wave packets for different vibrational modes, and determine the main parameters which influence the phonon scattering process. The results show that both the amount of phonon scattering and the modes into which the incident phonons are scattered are strongly dependent on the density of dopant atoms, as pointed out by Klemens's theory. This work sheds light on the effects of point defects on the thermal conductivity of semiconductors.

Original languageEnglish (US)
Title of host publication2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings
Pages677-680
Number of pages4
StatePublished - Dec 8 2006
Event2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings - Boston, MA, United States
Duration: May 7 2006May 11 2006

Publication series

Name2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings
Volume1

Other

Other2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings
CountryUnited States
CityBoston, MA
Period5/7/065/11/06

Keywords

  • Molecular dynamics simulation
  • Phonon scattering
  • Point defects

ASJC Scopus subject areas

  • Engineering(all)

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  • Cite this

    Yao, M., Watanabe, T., Phillpot, S. R., Schelling, P. K., Keblinski, P., & Cahill, D. G. (2006). Phonon scattering in doped silicon by molecular dynamics simulation. In 2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings (pp. 677-680). (2006 NSTI Nanotechnology Conference and Trade Show - NSTI Nanotech 2006 Technical Proceedings; Vol. 1).