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

<table class="table-group" width="800px"><tr class="fig-image" id="a"><td><img alt="216065.fig.003a" src="https://static-preview.hindawi.com/articles/acmp/volume-2011/216065/figures/216065.fig.003a.jpg"/></td></tr><tr class="fig-caption"><td align="center"><table><tr><td><b>(a) </b>A-bond</td></tr></table></td></tr><tr class="fig-image" id="b"><td><img alt="216065.fig.003b" src="https://static-preview.hindawi.com/articles/acmp/volume-2011/216065/figures/216065.fig.003b.jpg"/></td></tr><tr class="fig-caption"><td align="center"><table><tr><td><b>(b) </b>B-bond</td></tr></table></td></tr><tr class="fig-image" id="c"><td><img alt="216065.fig.003c" src="https://static-preview.hindawi.com/articles/acmp/volume-2011/216065/figures/216065.fig.003c.jpg"/></td></tr><tr class="fig-caption"><td align="center"><table><tr><td><b>(c) </b>A-bond in second layer</td></tr></table></td></tr></table>

<table>Cross sections of stable structures and energy gains <svg height="15.45" id="M23" style="vertical-align:-3.43848pt" version="1.1" viewbox="0 0 20.1 15.45" width="20.1" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
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</svg> with O absorption at (a) A-bond, (b) B-bond, and (c) A-bond in second layer. Black (white) balls indicate the Si atoms in the first (second) layer. O atoms are indicated in each figure. The coverage ratio <svg height="15.4" id="M24" style="vertical-align:-3.39069pt" version="1.1" viewbox="0 0 70.962502 15.4" width="70.962502" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
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</svg>.</table>

Advances in Condensed Matter Physics

fig3

Figure 3

Figure 3: First-Principles Calculation on Initial Stage of  Oxidation of Si (110)-(1 × 1) Surface 