Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1).
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.
Hemeryck
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A
Laboratoire d'Analyse et d'Architecture des Systèmes, CNRS, 7 Avenue du Colonel Roche, 31077 Toulouse, France.
Mayne
A J
AJ
Richard
N
N
Estève
A
A
Chabal
Y J
YJ
Djafari Rouhani
M
M
Dujardin
G
G
Comtet
G
G