Abstract
By using coaxial impact collision ion scattering spectroscopy (CAICISS), we have studied the structural changes extending over the first several layers from oxidized Si(100)-2×1 surfaces. A simulation of ion scattering was used for the analysis of CAICISS spectra. At an oxide thickness of 0.87 monolayer (ML), a peak in the CAICISS spectrum, which originates from the first-layer Si atoms, disappears. This finding indicates that the first-layer Si atoms move due to the structural relaxation accompanying the adsorption of oxygen atoms onto SiSi dimer sites and back-bond sites. In the CAICISS spectrum for 1.1-ML-thick oxide, some peaks appear due to the oxygen adsorption onto SiSi bonds between the second- and the third-layer Si atoms. From this result, we can deduce that the inward oxidation occurs before the lateral oxidation finishes.
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