Research Article
First-Principles Calculation on Initial Stage of Oxidation of Si (110)-(1 × 1) Surface
Table 1
Energy gains
with absorption of two O atoms.
| Coverage ratio | Energy gain | 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 |
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