Phys. Rev. B 66, 161315(R) (2002) [4 pages]Silanone (Si=O) on Si(100): intermediate for initial silicon oxidation
Infrared-absorption measurements and first-principles quantum chemical calculations reveal that the initial oxidation of clean Si(100)-(2×1) 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. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.66.161315
DOI:
10.1103/PhysRevB.66.161315
PACS:
81.65.Mq, 68.43.Fg, 68.43.Pq, 78.55.Ap
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