Phys. Rev. B 70, 205401 (2004) [5 pages]AuN clusters (N=32,33,34,35): Cagelike structures of pure metal atomsReceived 20 January 2004; revised 17 June 2004; published 2 November 2004 Based on the density functional theory, we demonstrate that AuN clusters can have cagelike structures. The cage consisting of 32 Au atoms has an icosahedral symmetry with a large energy gap of 1.56 eV, suggesting high stability and chemical inertness. The calculations show that the cagelike structure is stabilized by the relativistic effect. © 2004 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.70.205401
DOI:
10.1103/PhysRevB.70.205401
PACS:
71.15.Rf, 36.40.Cg, 36.40.Mr
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