Electronic structure of alkali-metal overlayers on the semi-infinite jellium surface

Abstract

A self-consistent electronic-structure calculation of alkali-metal overlayers on the semi-infinite jellium surface is performed within the local-density-functional theory combined with the embedding-potential method. The results obtained confirm that the adatom charge state is very insensitive to coverage (\ensuremath{\Theta}), and also that the hybridization between adatom and substrate states plays an important role in the adatom-induced dipole and its \ensuremath{\Theta} dependence.