Multiple scattering investigation of the 1T-TaS2 surface termination |
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Authors: | L Despont F Clerc M G Garnier H Berger L Forró P Aebi |
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Institution: | (1) Institut de Physique, Université de Neuchatel, Rue A.-L. Breguet 1, 2000 Neuchatel, Switzerland;(2) Institut de Physique de la Matière Complexe, EPFL, 1015 Lausanne, Switzerland |
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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. |
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Keywords: | 61 14 Qp X-ray photoelectron diffraction 68 49 Jk Electron scattering from surfaces |
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