Molecular Dynamics Study of Stress Effects on Raman Frequencies of Crystalline Silicon

Tomio Iwasaki, Naoya Sasaki, Hiroshi Moriya, Hideo Miura, Norio Ishitsuka

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The effects of stress on the Raman frequencies of crystalline silicon are studied using molecular dynamics simulation both for uniaxial stress along the [100] direction and for biaxial stress which is Isotropic in the (001) plane. The Tersoff potential is used to represent the interaction among the silicon atoms. Simulation results showed that the tensile stress causes the Raman frequencies to decrease. The conversion coefficients that are needed for converting the shifts of the Raman frequencies into the stress were obtained by comparing the simulation results with the dynamical equations for optical modes. The values obtained for the coefficients agreed well with the experimental values obtained by other works. The obtained relationship between the uniaxial stress and the Raman frequency for vibration in the [001] direction also agreed well with the experimental result we obtained using microscopic Raman spectroscopy.

Original languageEnglish
Pages (from-to)481-487
Number of pages7
JournalJSME International Journal, Series A: Mechanics and Material Engineering
Volume41
Issue number4
DOIs
Publication statusPublished - 1998
Externally publishedYes

Keywords

  • Computational mechanics
  • Molecular dynamics
  • Optical phonon
  • Raman frequency
  • Raman spectrum
  • Stress analysis

ASJC Scopus subject areas

  • Engineering(all)

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