Surface energies of simple metals (I)

The surface energy and the dipole barrier are calculated for eleven simple metals. The potential of the positive ions is replaced by Ashcroft‐model potentials. The decrease of the electron density at the surface and the relaxation of the top lattice plane are described by two parameters. Using the theory of the inhomogeneous electron gas the surface energy is calculated and minimized with respect to the surface parameters. The influence of the inhomogeneity of the electron density on the exchange and correlation energy has to be taken into account in order to obtain reasonable results for both the surface energy and the dipole contribution to the work function.