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Lowest Energy Structures of Gold Nanoclusters

Garzón, I. L., Michaelian, K., Beltrán, M. R., Posada-Amarillas, A., Ordejón, P., Artacho, E., Sánchez-Portal, D., Soler, J. M.·1998·Physical Review Letters

Abstract

The lowest energy structures of ${\mathrm{Au}}_{n}$ ( $n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}38,55,75$) nanoclusters are obtained by unconstrained dynamical and genetic-symbiotic optimization methods, using a Gupta $n$-body potential. A set of amorphous structures, nearly degenerate in energy, are found as the most stable configurations. Some crystalline or quasicrystalline isomers are also minima of the cluster potential energy surface with similar energy. First principles calculations using density functional theory confirm these results and give different electronic properties for the ordered and disordered gold cluster isomers.

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Metadata

Authors
Garzón, I. L., Michaelian, K., Beltrán, M. R., Posada-Amarillas, A., Ordejón, P., Artacho, E., Sánchez-Portal, D., & Soler, J. M.
Venue
Physical Review Letters
Published
1998-08-24
Volume
81
Issue
8
Pages
1600-1603
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W2073839928
Cited by
375
References
0
FWCI
9.69
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Lowest Energy Structures of Gold Nanoclusters. https://app.cochat.ai/papers/10.1103/physrevlett.81.1600
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Garzón, I. L., Michaelian, K., Beltrán, M. R., Posada-Amarillas, A., Ordejón, P., Artacho, E., Sánchez-Portal, D., & Soler, J. M. (1998). Lowest Energy Structures of Gold Nanoclusters. Physical Review Letters. https://doi.org/10.1103/physrevlett.81.1600

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