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Communication: Electron transfer mediated decay enabled by spin-orbit interaction in small krypton/xenon clusters
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, Yu. Ralchenko
, J. Reader
, and NIST ASD Team
, NIST Atomic Spectra Database
, version 5.0 (National Institute of Standards and Technology, Gaithersburg, MD, 2012), available at: http://physics.nist.gov/asd
[August 1, 2013 ].
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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.
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