Abstract
The atomic structure and thermodynamic properties of transition-metal 6- and 7-atom clusters are investigated using the molecular dynamics method, where Gupta’s potential taking into account many-body interaction is employed. The caloric and the structural fluctuations are studied. The “fluctuating state” is found for N = 6 in the region of the temperature near and below the melting point, where clusters undergo structural transition from one isomer to others without making any topological change. The fluctuating state differs from the “coexistence state” found in Ar clusters [1] i.e. the former involves no liquid state. In the liquid state the motion of atom-permutation occurs besides the breathing motion. On the other hand, the fluctuating state is not found for N = 7 but only the motion of atom-permutation in the liquid state. The coexistence state is found in both cases of 6- and 7-atom clusters. We also discuss a possibility of larger clusters displaying the fluctuating state.
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© 1989 Springer-Verlag
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Sawada, S., Sugano, S. (1989). Dynamics of transition-metal clusters. In: Chapon, C., Gillet, M.F., Henry, C.R. (eds) Small Particles and Inorganic Clusters. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-74913-1_43
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DOI: https://doi.org/10.1007/978-3-642-74913-1_43
Publisher Name: Springer, Berlin, Heidelberg
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