Photoabsorption of Fe, Co, and Ni atoms embedded in Al-clusters near 3p-ionization threshold of impurity

Abstract

Photoionization cross sections of Fe, Co, and Ni atoms inside Al jellium-clusters (containing up to 90 atoms) in the energy range near the 3p ionization threshold of the impurity atom are calculated using the time-dependent local spin-density approximation. The spectra are dominated by resonances and depend markedly on the cluster size. It is obtained that the resonances have an autoionization character and are caused by the interference between discrete electronic transitions from the 3p shell of the impurity atom to unfilled d shells of the jellium-cluster and ionization excitations ofd electrons. For comparison, within the same approach, photoionization cross sections of atomic Fe, Co, and Ni are computed.