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Multiple scattering investigation of the 1T-TaS2 surface termination

Despont, L. ; Clerc, F. ; Garnier, M. G. ; Berger, H. ; Forró, L. ; Aebi, P.

In: The European Physical Journal B - Condensed Matter and Complex Systems, 2006, vol. 52, no. 3, p. 421-426

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    Title
    • Multiple scattering investigation of the 1T-TaS2 surface termination
    Author
    • Despont, L.. Institut de Physique, Université de Neuchâtel, Rue A.-L. Breguet 1, 2000, Neuchâtel, Switzerland
    • Clerc, F.. Institut de Physique, Université de Neuchâtel, Rue A.-L. Breguet 1, 2000, Neuchâtel, Switzerland
    • Garnier, M. G.. Institut de Physique, Université de Neuchâtel, Rue A.-L. Breguet 1, 2000, Neuchâtel, Switzerland
    • Berger, H.. Institut de Physique de la Matière Complexe, EPFL, 1015, Lausanne, Switzerland
    • Forró, L.. Institut de Physique de la Matière Complexe, EPFL, 1015, Lausanne, Switzerland
    • Aebi, P.. Institut de Physique, Université de Neuchâtel, Rue A.-L. Breguet 1, 2000, Neuchâtel, Switzerland
    Document Type
    • Postprint
    Language
    • English
    Published in
    • The European Physical Journal B - Condensed Matter and Complex Systems, 2006, vol. 52, no. 3, p. 421-426. EDP Sciences
    Other Version
    OAI-PMH Identifier
    • oai:doc.rero.ch:313181
    Summary
    Abstract.: Multiple scattering theory based on a cluster model is used to simulate full hemispherical X-ray photoelectron diffraction measurements on a 1T-TaS2(0001) surface. Key points to determine the surface termination are discussed. As the commonly applied single scattering simulations do not give satisfying results, a multiple scattering approach has to be used to accurately simulate the full hemispherical photoelectron diffraction patterns. Differences and similarities between calculations of Ta and S terminated surfaces are presented along with experimental results at room temperature using both, the single and the multiple scattering approaches. We find that the surface is S terminated and that the quantitative difference between the calculations for both terminations permits to show the limits of the single scattering approach for solving surface termination problems. Moreover, by generalizing the results obtained using the multiple scattering approach, we discuss the application of this method to other similar systems