Communication

• Verfasst von: Zobel, J. Patrick [VerfasserIn]
• Verfasst von: Kryzhevoi, Nikolai V. [VerfasserIn]
• Verfasst von: Pernpointner, Markus [VerfasserIn]
• Titel: Communication
• Titelzusatz: electron transfer mediated decay enabled by spin-orbit interaction in small krypton/xenon clusters
• Verf.angabe: J. Patrick Zobel, Nikolai V. Kryzhevoi, and Markus Pernpointner
• E-Jahr: 2014
• Jahr: 25 April 2014
• Fussnoten: Gesehen am 04.09.2020
• Titel Quelle: Enthalten in: The journal of chemical physics
• Ort Quelle: Melville, NY : American Institute of Physics, 1933
• Jahr Quelle: 2014
• Band/Heft Quelle: 140(2014,16) Artikel-Nummer 161103, 4 Seiten
• ISSN Quelle: 1089-7690
• DOI: doi:10.1063/1.4873134
• Datenträger: Online-Ressource
• Sprache: eng
• K10plus-PPN: 1728882524

Abstract

In this work we study the influence of relativistic effects, in particular spin-orbit coupling, on electronic decay processes in KrXe2 clusters of various geometries. For the first time it is shown that inclusion of spin-orbit coupling has decisive influence on the accessibility of a specific decay pathway in these clusters. The radiationless relaxation process is initiated by a Kr 4s ionization followed by an electron transfer from xenon to krypton and a final second ionization of the system. We demonstrate the existence of competing electronic decay pathways depending in a subtle way on the geometry and level of theory. For our calculations a fully relativistic framework was employed where omission of spin-orbit coupling leads to closing of two decay pathways. These findings stress the relevance of an adequate relativistic description for clusters with heavy elements and their fragmentation dynamics.