An investigation of thermal conductivity of silicon as a function of isotope concentration by molecular dynamics

Atsushi Murakawa, Hideo Ishii, Koichi Kakimoto

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22 Citations (Scopus)

Abstract

Thermal conductivity of solid silicon as a function of the mole fraction of isotopes was investigated by molecular dynamics simulation. The thermal conductivity of isotope-silicon was calculated by using an empirical potential of Stillinger-Weber potential. We employed equilibrium molecular dynamics based on Green-Kubo's formula in which the autocorrelation function of heat flux was integrated as a function of duration time. The results of calculation showed that thermal conductivity of mixed isotope-silicon is smaller than that of pure isotope silicon. The results also showed that a pure isotope with a light mass has a large thermal conductivity.

Original languageEnglish
Pages (from-to)452-457
Number of pages6
JournalJournal of Crystal Growth
Volume267
Issue number3-4
DOIs
Publication statusPublished - Jul 1 2004

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

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