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Phys. Rev. A 67, 022713 (2003) [8 pages]

Geometrical information on core-excited states obtained from interference quenching of vibrational states in resonant x-ray photoemission

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A. Baev1, R. Feifel2, F. Gel’mukhanov1 *, H. Ågren1, M. N. Piancastelli2,3, M. Bässler2 †, C. Miron2 †, S. L. Sorensen4, A. Naves de Brito5 ‡, O. Björneholm2, L. Karlsson2, and S. Svensson2
1Theoretical Chemistry, Roslagstullsbacken 15, Royal Institute of Technology, S-106 91 Stockholm, Sweden
2Department of Physics, Uppsala University, Box 530, S-751 21 Uppsala, Sweden
3Department of Chemical Sciences and Technologies, University “Tor Vergata,” I-00133 Rome, Italy
4Department of Synchrotron Radiation Research, Institute of Physics, University of Lund, Box 118, S-221 00 Lund, Sweden
5Labóratorio Nacional de Luz Síncrotron (LNLS), Box 6192 Codigo de Enderecamento Postal: 13084-971 Campinas, Brazil

Received 15 October 2002; published 28 February 2003

An interference quenching of the m=1 final state vibrational line in the resonant Auger decay of N 1s→π* core-excited N2 is observed and analyzed. The intensity ratio between the m=1 and m=0 vibrational levels of the X 2Σg+ final state shows a surprising nonmonotonic variation as a function of frequency detuning, going through a minimum with a complete suppression of m=1. We have developed a simple model which indicates a linear relation between the value of the detuning frequency for this minimum and the equilibrium bond distance of the core-excited state. This implies the possibility of determining the equilibrium bond distances for core-excited states to a high degree of accuracy. Simultaneously with the simple model we present a strict theory of the studied effect. This strict theory allows us to explore the accuracy of determining the bond length of the core-excited state from resonant Auger spectra. We obtain a weak influence of the core-hole lifetime on the determined bond length, whereas the number of intermediate vibrational states accounted for in the numerical simulations seems to be quite important.


©2003 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevA.67.022713
DOI: 10.1103/PhysRevA.67.022713
PACS: 33.80.Eh, 33.70.Ca, 34.50.Gb

* Permanent address: Institute of Automation and Electrometry, 630090 Novosibirsk, Russia.
† Permanent address: MAX-LAB, University of Lund, Box 118, S-221 00 Lund, Sweden.
‡ On leave from Department of Physics, University of Brasília, 70910-900 Brasília, Brazil.

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