Document Type
Article
Original Publication Date
2004
Journal/Book/Conference Title
Physical Review B
Volume
70
Issue
24
DOI of Original Publication
10.1103/PhysRevB.70.245411
Date of Submission
May 2015
Abstract
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 0.139eV/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.
Rights
Sun, Q., Wang, Q., Jena, P. et al. Metastability of a gold nanoring: Density-functional calculations. Physical Review B, 70, 245411 (2004). Copyright © 2004 American Physical Society.
Is Part Of
VCU Physics Publications
Comments
Originally published by the American Physical Society at: http://dx.doi.org/10.1103/PhysRevB.70.245411