J. C. Hamilton

A two-component Frenkel-Kontorowa model for surface alloy formation

It has been shown by recent experiments that bulk immiscible metals (e.g. Ag/Cu, Ag/Co and Au/Ni) can form binary alloys on certain surfaces where the substrate mediates the elastic misfits between the two components, thus relieving the elastic strain in the overlayer. These novel surface alloys exhibit a rich phase structure. We formulate a two-component Frenkel–Kontorova model in one dimension to study surface alloy formation. This model can naturally incorporate dislocation formation that plays a crucial role in determining the actual structure of the system. Using energy minimization calculations we provide a phase diagram in terms of average alloy composition and the energy of mixing. Monte Carlo simulations were also performed to study the structure and interaction of the emerging dislocations.