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Entropic effects on the Size Evolution of Cluster Structure

Jonathan P. K. Doye and Florent Calvo

Phys. Rev. Lett. 86, 3570-3573 (2001)

Abstract

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.

The full paper is available from PRL online and the Los Alamos preprint server (and mirrors: UK , France, Germany)