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Ionization potential of aluminum clusters

Research output: Contribution to journalArticleScientificpeer-review

Details

Original languageEnglish
Pages (from-to)3601-3604
Number of pages4
JournalPhysical Review B
Volume58
Issue number7
DOIs
Publication statusPublished - 15 Aug 1998
Externally publishedYes
Publication typeA1 Journal article-refereed

Abstract

Structure, electronic structure, and ionization potential of aluminum clusters of 2-23 atoms are studied with a total energy method based on the density-functional theory. The calculated adiabatic ionization potentials agree remarkably well with the data from threshold photoionization measurements. The analysis of results gives insight into hybridization effects in the smallest clusters as well as reveals certain clusters that exhibit a clear jellium-type shell structure. An explanation of the experimental results in the size region of 12-23 atoms is given in terms of coexisting, competing icosahedral, decahedral, and fcc-based clusters.

Keywords

  • SIMPLE METAL-CLUSTERS, SHELL STRUCTURE, ENERGIES, PSEUDOPOTENTIALS, DISSOCIATION, PHYSICS, MODEL, IONS