Silanone (Si=O) on Si(100): Intermediate for initial silicon oxidation

Y. J. Chabal, Krishnan Raghavachari, X. Zhang, E. Garfunkel

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Infrared-absorption measurements and first-principles quantum chemical calculations reveal that the initial oxidation of clean Si(100)-(2x1) by O2 involves the formation of a metastable silanone intermediate, (O)Si=O, containing two oxygen atoms presumably from the same O2 molecule. Oxygen insertion into the surface silicon Si-Si backbonds is either thermally activated (∼1-eV barrier) or induced by atomic hydrogen exposure with formation of novel dihydride intermediates.

Original languageEnglish
Article number161315
Pages (from-to)1613151-1613154
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number16
Publication statusPublished - Oct 15 2002


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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