title: Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1).
abstract: First principles calculations and scanning tunneling microscopy studies of the oxidation of Si(100)-(2x1) surfaces by molecular oxygen reveal that the surface silanone (O)(Si=O) species is remarkably stable, constituting the key intermediate for initial oxidation. The propensity for oxygen to remain within the top surface layer as opposed to incorporating within Si-Si backbonds is surprisingly high. This resistance to incorporation into a cubic lattice even at higher coverages could be a factor to facilitate surface amorphization in subsequent steps.
authors: Laboratoire d'Analyse et d'Architecture des Systèmes, CNRS, 7 Avenue du Colonel Roche, 31077 Toulouse, France.
authors: A
authors: A
authors: Hemeryck
authors: A J
authors: AJ
authors: Mayne
authors: N
authors: N
authors: Richard
authors: A
authors: A
authors: Estève
authors: Y J
authors: YJ
authors: Chabal
authors: M
authors: M
authors: Djafari Rouhani
authors: G
authors: G
authors: Dujardin
authors: G
authors: G
authors: Comtet