科研之友
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摘要
The structure and dynamics of Ni-N, Ag-N and Au-N (N = 6-30) clusters have been studied extensively by Monte Carlo and molecular dynamics methods based on the Sutton-Chen many-body potential. An exhaustive search for low-energy minima on the potential energy surface was carried out using the eigenvector-following technique. The exponential increase in the number of isomers with atomic size is demonstrated and compared. The binding energies and point groups of global minimum and first two isomers of Ni-N, Ag-N and Au-N (N = 6-14) clusters are listed. The melting properties and temperatures of the clusters are reported.
- 出版日期2005-2-16
