H2O on Si(0 0 1): surface optical anisotropy from first-principles calculations

Reflectance anisotropy spectra (RAS) for water covered Si(0 0 1) surfaces have been calculated within the independent-particle approximation. For low coverages we find essentially an attenuation of the features typical for clean Si surfaces. For the saturation coverage of one molecule per dimer, however, dissociative adsorption and oxygen insertion into the Si dimer give rise to clearly different optical anisotropies.