Atomic Clusters on Surfaces: Interaction, Structure, and Stability
نویسنده
چکیده
Surface relaxation and finite temperature properties of the (0001) Be surface are studied using many-body potentials and classical molecular dynamics method. The calculations show a large surface relaxation, in excellent agreement with experimental results. We obtain from the finite temperature simulations the melting point of bulk Be in good agreement with the experimental value. Thermal stability of a 55-atoin Be cluster, both free and supported by a (0001) Be surface, have been studied. The melting point of the free cluster is significantly lower than that of the bulk. We observe a structural transition in the supported cluster at a temperature even lower than that of the free cluster. This transition, however, cannot be interpreted unambiguously as a melting transition.
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تاریخ انتشار 2006