Entropic Effects on the Size Dependence of Cluster Structure

Jonathan P. K. Doye and Florent Calvo
Phys. Rev. Lett. 86, 3570 – Published 16 April 2001
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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.

  • Received 22 November 2000

DOI:https://doi.org/10.1103/PhysRevLett.86.3570

©2001 American Physical Society

Authors & Affiliations

Jonathan P. K. Doye and Florent Calvo*

  • University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, United Kingdom

  • *Permanent address: Laboratoire de Physique Quantique, IRSAMC, Université Paul Sabatier, 118 Route de Narbonne, F31062 Toulouse Cedex, France.

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Vol. 86, Iss. 16 — 16 April 2001

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