Abstract
A new empirical potential energy function (PEF) is proposed, which is formed from pair-interactions only, and containes the many-body contributions. The PEF satisfies bulk cohesive energy and bulk stability condition. The PEF is parameterized for copper, silver, and gold elements in fcc crystal structure. The elastic constantsC11 andC12 and the bulk modulus of the elements are calculated, and the structural stability and energetics of microclusters containing 3 to 7 atoms of the same elements are investigated.
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More From: Zeitschrift für Physik D Atoms, Molecules and Clusters
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