A theoretical study of the structure of Ni clusters (Ni-N)

The energetics of nickel clusters Ni-N, N = 2-100) is studied using the emb edded-atom method combined with (Ni N, structure optimization through the v ariable metric/quasi-Newton optimization method. The developed numerical pr ogram is fast and enables the determination of the equilibrium configuratio n of clusters unbiased by additional assumptions on the start geometries, r estrictions on the symmetry, or bond lengths. For each cluster size we exam ine the binding energy per atom and identify the so-called magic clusters, i.e. the clusters of particularly high stability. The results are found to be in good agreement with those of available experimental and theoretical i nvestigations.