Possible method to determine the two-dimensional to three-dimensional crossover of gold clusters by examining their vibrational modes

Wei Fa and Jinming Dong , "Possible method to determine the two-dimensional to three-dimensional crossover of gold clusters by examining their vibrational modes", APL 89, 013117 (2006)

There has been a lot of interest lately in small metal clusters, comprised of less than 30 atoms. In particular gold is an interesting case, as Au nanoclusters display catalytic properties which are not observed in the bulk. However, the characterization of these clusters, and in particular the characterization of the relative stabilities of the different possible structures has been elusive. These guys use relativistic DFT calculations and find that the 2D and 3D geometries have distinct vibrational modes. This could be an easy way to identify them spectroscopically.