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Empirical many-body potential energy function for silver and gold: Application to microclusters

Erkoc, Sevilay
A recently developed empirical many-body potential energy function (PEF) has been modified and parametrized for the elements silver and gold. The PEF comprises two- and three-body atomic interactions, which satisfy both the bulk cohesive energy per atom and the bulk stability exactly, and give the bulk modulus reasonably well. The structural stability and energetics of microclusters of these elements containing three to seven atoms have been investigated. It has been found that the triangular form of trimers and the three-dimensional configurations of four- to seven-atom microclusters are energetically more stable. The present cluster configurations are qualitatively in agreement with the available literature values.