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 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.1501128 |