Tight-binding molecular dynamics simulation of desorbed SiO molecule during the oxidation of Si(111) surface

Aruba Yamada, Akira Endou, Hiromitsu Takaba, Kazuo Teraishi, S. Salai Cheettu Ammal, Momoji Kubo, Kazutaka G. Nakamura, Masahiro Kitajima, Akira Miyamoto

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)

Abstract

Tight-binding molecular dynamics calculations have been carried out to study the SiO desorption at high temperature during the oxidation of Si(111) surface. In our model, the on-top site of SiO at the Si(111) surface was heated partially on purpose. The high wagging and stretching energies related to the SiO are considered to be the origin of SiO desorption for the present calculations. Vibrational frequencies at the oxygen adsorption site on Si(111) surface and both rovibrational and translational energies of desorbed SiO molecule were calculated and compared with the experimental results. The SiO molecule desorbed at the thermal equilibrium state which is in agreement with the experimental results.

Original languageEnglish
Pages (from-to)2434-2437
Number of pages4
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume38
Issue number4 B
DOIs
Publication statusPublished - 1999 Jan 1

Keywords

  • Desorption
  • Oxidation
  • Rovibrational state
  • SiO
  • Tight-binding molecular dynamics

ASJC Scopus subject areas

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

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