Electronic surface states on the relaxed (111) surface of Ge

Abstract
Self-consistent pseudopotentials are used to investigate the (111) surface of Ge. Using a relaxed surface, geometry comparisons are made with other calculational results for the Ge surface. In addition, the results for Ge are compared to recent calculations performed on the Si surface. Striking differences are found between Si and Ge for the dangling-bond energy dispersion curves and charge-density distributions. A generalized susceptibility calculation is performed for the Ge and Si surfaces. The results suggest a different reconstruction pattern for the two surfaces in only qualitative agreement with experiment.