Entropic effects on the size dependence of cluster structure.
We show that the vibrational entropy can play a crucial role in determining the equilibrium structure of clusters by constructing structural phase diagrams showing how the structure depends upon both size and temperature. These phase diagrams are obtained for example rare gas and metal clusters.
Doye
J P
JP
University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom.
Calvo
F
F