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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
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: |
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| 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 | ||||||||
| Adapted As: |
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