A pairwise interaction approach to the adsorption of Cu on W(100) and W(110)

The stable configurations and adsorption energies of epitaxial Cu overgrowth on single crystalline W(100) and W(110) substrates are calculated by means of a pairwise interaction model based on Morse potentials. The overgrowth is adsorbed onto a substrate which consists of a single relaxed surface layer surmounting a large number of unrelaxed layers fixed at bulk spacing. Stable configurations are obtained by minimizing the mechanical energy of atoms in the adsorbate and upper substrate layer numerically. It is shown that the calculations have qualitative significance in the prediction of adlayer structures and adsorption energies. (Auth.)