Metastability of a gold nanoring: Density-functional calculations

Q. Sun, Q. Wang, P. Jena, R. Note, J. Z. Yu, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)


First-principles calculations based on gradient corrected density functional theory show that a cluster of as few as 90 gold atoms can be stabilized in a ring structure having fcc (111) motif with the binding energy/atom and interatomic distance approaching 91% and 96% of the bulk values, respectively. Although the ring structure lies 0.139 eV/atom higher in energy than a polyicosahedral structure, the calculated frequencies are real. Thus under appropriate experimental conditions it may still be possible to synthesize a metastable form of gold nanoring, as found in the recent experiment.

Original languageEnglish
Article number245411
Pages (from-to)1-5
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number24
Publication statusPublished - 2004 Dec


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