Abstract
We calculate the reflectance anisotropy and the reflectance-difference spectra for a clean Si(100) surface and two hydrogen- (H-) covered Si(100) surfaces. The clean surface is a $2\ifmmode\times\else\texttimes\fi{}1$ surface reconstruction, characterized by a tilted dimer formed between the two topmost Si atoms. One of the H-covered surfaces is a monohydride surface in which the two dangling bonds of the dimer are H saturated to give a flat dimer, and the other surface is a dihydride surface in which the H saturates each of the two dangling bonds leading to a bulk ideally terminated surface. The optical response is calculated with a pseudopotential framework using the local-density-plus-scissors approximation. A ``layer-by-layer'' analysis of the response is implemented with the pseudopotential calculation.
Published Version
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