Strain distribution around SiO2/Si interface in Si nano wires: A molecular dynamics study

Hiromichi Ohta*, Takanobu Watanabe, Iwao Ohdomari

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

49 Citations (Scopus)


We have performed three-dimensional molecular dynamics simulations to investigate strain and stress distributions in silicon nanostructures covered with thermal oxide films, by using our original molecular force field for Si, O mixed systems. We have modeled a wire-shaped nanostructure by carving a Si(001) substrate, and then an oxide film with a uniform thickness was formed by inserting oxygen atom into Si-Si bonds from the surface. The simulation results show that a compressive stress is concentrated on the oxide region in the vicinity of the side SiO2/Si interface of the nanowire. At the top interface, there is also a compressive stress in the [110] direction, whereas the [001] component of the normal stress tensor is almost relaxed. These results suggest that the oxidation is strongly suppressed at the side faces of the silicon nanowire.

Original languageEnglish
Pages (from-to)3277-3282
Number of pages6
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Issue number5 B
Publication statusPublished - 2007 May 17


  • Molecular dynamics simulation
  • Si nanowire
  • Strain and stress
  • Thermal oxidation

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)


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