Binding energies in cubic metal surfaces

Abstract

Surface binding energies are calculated using Morse potentials for the (100), (110) and (111) surfaces of seven f.c.c. and 9 b.c.c. metals. Estimates are made for a further seven metals. Surface relaxation effects are included and their effect discussed. The surface binding energies are found to be greater than the sublimation energy per atom of the solid. Qualitative arguments are proposed to explain the ordering of binding energies between crystal faces. Comparison with experimental data for the adsorption energies of tungsten atoms on tungsten crystal faces indicates the plausibility of the calculated valucs.