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

Date

1990-9

Author

Erkoc, Sevilay

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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.

Subject Keywords

Physical and Theoretical Chemistry, General Physics and Astronomy

URI

https://hdl.handle.net/11511/51406

Journal

Chemical Physics Letters

DOI

https://doi.org/10.1016/0009-2614(90)85302-s

Collections

Department of Physics, Article

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Citation Formats

S. Erkoc, “Empirical many-body potential energy function for silver and gold: Application to microclusters,” Chemical Physics Letters, pp. 57–62, 1990, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51406.