Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2×1) Reconstructed Surfaces

Abstract
A recently developed method for the self-consistent calculation of localized configurations has been applied to the Si(111) surface. Results have been obtained for unrelaxed, relaxed, and (2×1) reconstructed (buckled) surfaces. Densities of states and charge densities are presented and discussed. The salient experimental findings are reproduced.