Phys. Rev. B 67, 085404 (2003) [6 pages]Theoretical study of small two-dimensional gold clustersReceived 16 March 2002; revised 9 October 2002; published 7 February 2003 The geometric and electronic properties of small two-dimensional (2D) AuN (N=2–20) clusters are studied using the density-functional method. The lowest-energy geometries of a closed-packed nature are selected for 2D Au2- Au8 clusters. A clear odd-even oscillation is found for the stability and energy gaps of AuN clusters with N<~15. The polarizabilities of the 2D clusters are calculated and found to be strongly anisotropic. In the normal direction of a 2D cluster, the polarizability is smaller than that of bulk Si, indicating a nonmetallic character. A fitting formula is proposed to estimate the polarizability of a 2D Au cluster with arbitrary size and shape in the normal direction. The behavior of a 2D Au cluster in a strong electric field is also discussed. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.67.085404
DOI:
10.1103/PhysRevB.67.085404
PACS:
73.22.-f, 71.15.Mb, 61.46.+w
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