Abstract
The temperature-depence of the ionization potential of Al6 and Al7 clusters is studied by using ab initio molecular dynamics. The threshold regions of theoretical photoionization eciency curves are ob- tained from the calculated ionization potential distributions by integration and the determined ionization potentials are compared with the experimental ones. Two important eects, which complicate the determin- ation of ionization potential from photoionization eciency curves, are observed: the thermal tail eect and the isomerization. Also a link between the adiabatic ionization potential and the threshold of the photoion- ization eciency curve is discussed. In the case of Al7, this often used connection breaks down. PACS. 36.40.Cg Electronic and magnetic properties of clusters { 36.40.Mr Spectroscopy and geometrical structure of clusters { 71.24.+q Electronic structures of clusters and nanoparticles
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