The stable Si (113) surface with a 3x2 adatom-dimer-interstitial reconstruction was investigated by using ab initio methods. The ground-state properties were obtained using density-functional theory. The dispersion of the electronic band structure was presented, where the surface bands were distinguished from the projected bulk bands by calculating their localization in the slab. The optical spectra, here the reflectance anisotropy spectra, were obtained within the independent-particle random-phase approximation. Surface features in the spectra were identified, traced back to the responsible electronic states, and their localization in the slab was studied.

Ab initio Calculations of the Optical Properties of the Si(113) 3x2 Adatom-Dimer-Interstitial Surface. K.Gaál-Nagy, G.Onida: Physical Review B, 2007, 75[15],