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Virginia Commonwealth University
SIMPLE METAL-CLUSTERS; ALUMINUM CLUSTERS; ASSEMBLED MATERIALS; BERYLLIUM CLUSTERS; ATOMIC CLUSTERS; BUILDING-BLOCKS; SUPERATOMS; SPECTROSCOPY; REACTIVITY; ENERGIES
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Full-Text Articles in Physics
Closed-Shell To Split-Shell Stability Of Isovalent Clusters, Victor M. Medel, J. Ulises Reveles, A. C. Reber, Shiv N. Khanna, A. W. Castleman Jr.
Closed-Shell To Split-Shell Stability Of Isovalent Clusters, Victor M. Medel, J. Ulises Reveles, A. C. Reber, Shiv N. Khanna, A. W. Castleman Jr.
Physics Publications
Metallic clusters containing 2, 8, 18, and 20 electrons are now known to exhibit enhanced stability that can be reconciled because of filled 1S, 1P, 1D, and 2S electronic shells within a simplified confined nearly free electron (NFE) gas. Here, we present first-principles studies on three isovalent clusters, i.e., ZnMg8, CuMg8−, and AuMg8−, each with 18 valence electrons. All the clusters exhibit local energetic stability but with differing origins. Although the stability of ZnMg8 can be reconciled within the conventional confined NFE picture with filled 1S2, 1P6, and 1D10shells, CuMg8− and AuMg8− are shown to be stable despite the unfilled …