2D-Drop model applied to the calculation of step formation energies on a (111) substrate

Details 2D-Drop model applied to the calculation of step formation energies on a (111) substrate 2D-Drop model applied to the calculation of step formation energies on a (111) substrate

2001-09-06

arxiv.org/abs/cond-mat/0109120v1

Physics

Condensed Matter

12 pages, LaTeX2e, 2 included EPS figures, submitted to Surface Science Subj-class

Scientific paper

10.1016/S0039-6028(01)01808-8

A model is presented for obtaining the step formation energy for metallic islands on (111) surfaces from Monte Carlo simulations. This model is applied to homo (Cu/Cu(111), Ag/Ag(111)) and heteroepitaxy (Ag/Pt(111)) systems. The embedded atom method is used to represent the interaction between the particles of the system, but any other type of potential could be used as well. The formulation can also be employed to consider the case of other single crystal surfaces, since the higher barriers for atom motion on other surfaces are not a hindrance for the simulation scheme proposed.

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