First-Principles Calculation on Initial Stage of Oxidation of Si (110)-(1 × 1) Surface

Figure 4

Cross sections of stable structures with absorption of two O atoms at (a) O (A-bond) –Si–O (A-bond) and (b) O (A-bond) –Si–O (B-bond). Black (white) balls indicate the Si atoms in the first (second) layer. O atoms are indicated in each figure. The coverage ratio 𝑅_ox=0.10.

(a) O (A-bond) –Si–O (A-bond)

(b) O (A-bond) –Si–O (B-bond)