Energetics of Spherical Clusters

Authors: HATİCE KÖKTEN, ŞAKİR ERKOÇ

Abstract: The energetics of spherical clusters of elements Fe in bcc, Ca and Pb in fcc, and C in diamond structure have been investigated by using emprical many-body potential energy function which contains two- and three-body inteactions. In the variation of average interaction energy per atom (E_b) versus cluster size (N_{sh}; number of shells) only carbon clusters have magic numbers at 5, 8, 11 and 14 shells. E_b versus N_{sh} becomes smooth after 15 shells for carbon, however this variation becomes smooth for the other elements after 10 shells. The variation of two-body to three-body interaction energy versus cluster size becomes almost constant after 10 shells for all elements considered. Energetic cluster size effect has been also investigated for the elements considered.

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