On the observed irregular melting temperatures of free sodium clusters

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dc.creatorChacko, S.
dc.creatorKanhere, D. G.
dc.creatorBlundell, S. A.
dc.date2004-08-21
dc.date2005-02-04
dc.date.accessioned2026-07-07T05:52:31Z
dc.date.available2026-07-07T05:52:31Z
dc.descriptionDensity--functional simulations have been performed on Na$_{55}$, Na$_{92}$ and Na$_{142}$ clusters in order to understand the experimentally observed melting properties [M. Schmidt \textit{et al.}, Nature (London) \textbf{393}, 238 (1998)]. The calculated melting temperatures are in excellent agreement with the experimental ones. The calculations reveal a rather subtle interplay between geometric and electronic shell effects, and bring out the fact that the quantum mechanical description of the metallic bonding is crucial for understanding quantitatively the variation in melting temperatures observed experimentally.
dc.description13 pages including 5 figures
dc.identifierhttps://arxiv.org/abs/physics/0408098
dc.identifierhttp://arxiv.org/abs/physics/0408098
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/86346
dc.subjectAtomic and Molecular Clusters
dc.subjectMaterials Science
dc.titleOn the observed irregular melting temperatures of free sodium clusters
dc.typetext

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