Foreign and native coordination effects in core-level spectra of mixed Be-Mg clusters

The core-ionization spectra of mixed Be-Mg clusters are computed by accurate ab initio methods. They are found to exhibit a variety of strong and unexpected effects originating from the presence of neighboring atoms of the same (native) or the other (foreign) element. The spectra reveal unusually lo...

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Veröffentlicht in:The Journal of chemical physics 2002-08, Vol.117 (8), p.3533-3536
Hauptverfasser: Dobrodey, N. V., Streltsov, A. I., Cederbaum, L. S., Villani, C., Tarantelli, F.
Format: Artikel
Sprache:eng
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Zusammenfassung:The core-ionization spectra of mixed Be-Mg clusters are computed by accurate ab initio methods. They are found to exhibit a variety of strong and unexpected effects originating from the presence of neighboring atoms of the same (native) or the other (foreign) element. The spectra reveal unusually low-lying intense satellites and the band shapes are sensitive to the local environment of the core-ionized atom. Foreign and native screening processes compete with each other resulting in specific spectral features which uniquely characterize the clusters.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1501128