First-Principles Calculation on Initial Stage of Oxidation of Si (110)-(1 × 1) Surface
Figure 5
Top views of obtained atomic configurations of cells including (a) unoxidized one A-bond and (b) unoxidized one B-bond. Black (white) balls indicate the Si atoms in the first (second) layer. The dotted circles indicate the unoxidized bonds. The Si atoms indicated by arrows in (b) moved outward at a large displacement.
