Presentation Information
[1D03]Reduced geometrical cluster model calculations in terms of multiple scattering theory in high-energy XPD: application to SrTiO3
*Shin Yasuda1, Kevin Dunseath2, Philippe Schieffer2, Didier Sébilleau2, Sylvain Tricot2, Keisuke Hatada1 (1. Graduate School of Science and Engineering, Toyama University (Japan), 2. IPR, University of Rennes-CNRS (France))
SrTiO3 is one of the promising materials in technologies associated with its exotic phenomena, such as ferroelectricity and the two-dimensional electron gas formed at the LaAlO3/SrTiO3 interface. X-ray Photoelectron Diffraction (XPD) with high-energy photoelectrons is one of the powerful tools for surface structural analysis. In this study, we build a model of a cluster to improve the computational cost by approximating our cluster as a cone with a fake emitter at the center of the bottom plane and positioned at the cone apex. This approach is applied to the SrTiO3 cluster, and the reduction of computational time and good agreement between simulation and experiment are obtained. The results allow us to significantly accelerate XPD simulations for complex materials and may be extended to other oxide systems.
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