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.

Bibliographic Details
Main Authors: Doye, J, Calvo, F
Format: Journal article
Language:English
Published: 2001
Description
Summary: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.