Static energetics of metallic-monolayer-on-metal structures

Publisher Website
Google Scholar
Abstract
Atomistic studies on static energetics of Cu monolayer growth on a Ni substrate are presented. The sensitivity of the characteristics of the energetics, as a function of the ratio of the lattice constants, to the chosen atomistic model such as rigid versus nonrigid (nonrigid approximation corresponds to the inclusion of adatom-adatom interactions) for the adlayer and the interaction potential is discussed. Conditions necessary to obtain a coherent interface between [fcc (111)]/[fcc (100)] structures are then examined in terms of axial commensuration. The strains and the strain energies at interfaces which exhibit either positive misfit [Cu/Ni(100)] or negative misfit [Ni/Cu(100)] are obtained employing the recently developed embedded-atom potentials for Ni and Cu.