Work Function and Surface Structure of Simple Metals

Abstract

Abstract The work function is calculated for ten simple metals in the framework of model potentials. The Shaw model potential is used. The surface structure is described by a model containing a decrease of the conduction electron density and a change of the lattice constant. The parameters of this model are determined from the requirement of a minimum surface energy. The calculated work functions agree well with the experimental ones. The calculated increase of the lattice constant at the surface is about 1%. It gives rise to a decrease of the total surface dipole potential. The latter is much smaller than that calculated for the usual model where the ions are replaced by a homogeneous background. The agreement of the work function with experiment justifies the use of the mean value of model potentials in the calculation of physical properties.