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Ionization potential of Al-6 and Al-7 as a function of temperature

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Details

Original languageEnglish
Pages (from-to)179-182
Number of pages4
JournalEuropean Physical Journal D
Volume9
Issue number1-4
DOIs
Publication statusPublished - Dec 1999
Externally publishedYes
Publication typeA1 Journal article-refereed
Event9th International Symposium of Small Particles and Inorganic Clusters - LAUSANNE, Switzerland
Duration: 1 Sep 19985 Sep 1998

Abstract

The temperature-depence of the ionization potential of Al-6 and Al-7 clusters is studied by using ab initio molecular dynamics. The threshold regions of theoretical photoionization efficiency curves are obtained from the calculated ionization potential distributions by integration and the determined ionization potentials are compared with the experimental ones. Two important effects, which complicate the determination of ionization potential from photoionization efficiency curves, are observed: the thermal tail effect and the isomerization. Also a link between the adiabatic ionization potential and the threshold of the photoionization efficiency curve is discussed. In the case of Al?, this often used connection breaks down.

Keywords

  • ELECTRONIC SHELL STRUCTURE, CESIUM OXIDE CLUSTERS, ALUMINUM CLUSTERS, METAL-CLUSTERS, PHOTOIONIZATION