Spherical voids and clusters in the stabilized jellium model: Self-consistent Kohn-Sham calculations

P. Ziesche*, M. J. Puska, T. Korhonen, R. M. Nieminen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

13 Citations (Scopus)

Abstract

The void formation energies in simple metals are calculated in the stabilized jellium model. The total energies of stabilized jellium spheres mimicking small clusters of simple metals are determined. The electronic structures are solved in both cases self-consistently within the local density approximation for electron exchange and correlation. The planar surface energies and the curvature energies are extracted from the results. The stabilized jellium model is shown to give a physically meaningful description of planar surfaces as well as surfaces with positive or negative curvature. The results for voids and clusters are discussed using the so-called liquid drop model and its generalization. They are used to estimate edge and step formation energies.

Original languageEnglish
Pages (from-to)9049-9058
Number of pages10
JournalJournal of physics: Condensed matter
Volume5
Issue number49
DOIs
Publication statusPublished - 1993
MoE publication typeA1 Journal article-refereed

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