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Published November 2006 | public
Journal Article

Probing the transition from non-localization to localization by K-shell photoemission from isotope-substituted N_2

Abstract

In homonuclear diatomic molecules such as N_2, the inversion symmetry of the system causes non-local, coherent behavior of the otherwise localized core holes. The non-locality of the electron emission and the remaining core hole changes in a continuous way into partially localized behaviour if a gradual breakdown of the inversion symmetry is induced by isotope substitution. This is reflected by a loss of interference and a parity mixing of the outgoing photoelectron waves. Our results represent the first experimentally observed isotope effect on the electronic structure of a diatomic molecule.

Additional Information

© 2006 Elsevier. Accepted 27 July 2005. The authors acknowledge the essential contributions of R. Diéz Muiño, F.J. García de Abajo, C.S Fadley and M.A. Van Hove to the MSNSP calculations shown in Fig. 1 and many insightful discussion about core-hole delocalisation and coherent photoelectron emission in homonuclear molecules. The help of R. Püttner and F. Gelmukhanov in the interpretation of the effect of isotope substitution on the vibrational structure and the Franck-Condon factors is also greatly acknowledged.

Additional details

Created:
August 22, 2023
Modified:
October 25, 2023