6533b823fe1ef96bd127e157
RESEARCH PRODUCT
Ionization potential of Al6 and Al7 as a function of temperature
Hannu HäkkinenM. ManninenJaakko Akolasubject
PhysicsAb initio molecular dynamicsIonizationThermalPhysics::Atomic and Molecular ClustersPhysics::Atomic PhysicsFunction (mathematics)PhotoionizationAtomic physicsIonization energyAdiabatic processIsomerizationAtomic and Molecular Physics and Opticsdescription
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 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 Al7, this often used connection breaks down.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1999-12-01 | The European Physical Journal D |