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.
|Number of pages||4|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - Oct 15 2002|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics