Stability of the tetrahedral motif for small gold clusters in the size range 16-24 atoms

Elsevier Science
Publication Type:
Journal Article
Materials Science and Engineering B: Solid State Materials for Advanced Technology, 2007, 140 (3), pp. 177 - 181
Issue Date:
Full metadata record
Files in This Item:
Filename Description Size
Thumbnail2007000515.pdf1.28 MB
Adobe PDF
The tetrahedral 20-atom gold cluster is surprisingly stable, and is believed to be the ground state structure as evidenced both by ab initio calculations [1-3] and experiment [3]. This sturcture is very orderd, has no internal atoms and is essentially a small section of fcc-bulk gold cut along four intersecting close-packed (111) planes. We have previously shown that it is at least 0.5eV more stable than the tetrahedral structure represents a deep minimum in the potential energy surface that is isolated from its isomers, gives rise to a well-defined melting point with a melting temperature comparable to bulk gold [4].
Please use this identifier to cite or link to this item: