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

Table 1

Energy gains 𝐸_𝐺 with absorption of two O atoms.

Coverage ratio 𝑅ox	Energy gain 𝐸𝐺
	O (A-bond) –Si–O (A-bond)	O (A-bond) –Si–O (B-bond)	O (A-bond) –Si–Si–O (A-bond)
0.06	8.58 eV	8.47 eV	8.37 eV
0.10	8.44 eV	8.56 eV	8.26 eV