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Ordering and correlation of cluster orientations in CaCd6

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Brommer, Peter, Gähler, Franz and Mihalkovic, Marek (2007) Ordering and correlation of cluster orientations in CaCd6. Philosophical Magazine, Volume 87 (Number 18-21). pp. 2671-2677. doi:10.1080/14786430701361370

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Official URL: http://dx.doi.org/10.1080/14786430701361370

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Abstract

In order to study the low-temperature phase transition in CaCd6, which is attributed to a reordering of the innermost tetrahedral cluster shells, accurate Embedded-Atom-Method potentials are developed for this system. With these potentials, the ideal cluster structure and the couplings between neighbouring clusters are determined. From these data, an effective Hamiltonian for the cluster orientations is derived. The Hamiltonian is used in Monte Carlo simulations, which exhibit a sharp jump in the internal energy near the expected transition temperature.

Item Type: Journal Article
Subjects: Q Science > QC Physics
Divisions: Faculty of Science > Engineering
Journal or Publication Title: Philosophical Magazine
Publisher: Taylor & Francis
ISSN: 1478-6435
Official Date: 2 December 2007
Dates:
DateEvent
2 December 2007Published
4 November 2006Accepted
12 September 2006Submitted
Volume: Volume 87
Number: Number 18-21
Page Range: pp. 2671-2677
DOI: 10.1080/14786430701361370
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
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