STRUCTURE AND ENERGETICS OF HIGH-INDEX FE, AL, CU AND NI SURFACES USING EQUIVALENT CRYSTAL THEORY

Equivalent crystal theory (ECT) is applied to the study of multilayer relaxations and surface energies of high-index faces of Fc, Al, Ni and Cu. Changes in interplanar spacing as well as registry of planes clos e to the surface and the ensuing changes of surface energies are discu ssed in reference to available experimental data and other theoretical calculations. Since ECT is a semiempirical method, we investigate the dependence of the results on the variation of the input used.