Simulation Structural Properties of Ni Clusters by Transferable Tight-binding Potential

摘要

A transferable tight-binding potential for Ni has been developed. Molecular dynamics methodsand simulated annealing techniques have been used to study the structural properties of Ni clusters with this potential. We have obtained the structures of some Ni clusters. The averagecoordination number, ionization potentials and the stability of clusters have also been calculated.