Ionization potential of Al6 and Al7 as a function of temperature

被引:10
作者
Akola, J
Häkkinen, H
Manninen, M
机构
[1] Univ Jyvaskyla, Dept Phys, FIN-40351 Jyvaskyla, Finland
[2] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA
关键词
D O I
10.1007/s100530050422
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
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.
引用
收藏
页码:179 / 182
页数:4
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