Berlin 2024 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 95: Electronic Structure of Surfaces II: Spectroscopy, Surface States

O 95.3: Vortrag

Donnerstag, 21. März 2024, 15:30–15:45, MA 144

Circular dichroism by core-level angle-resolved photoemission: Application of multiple and single-site scattering theory — •Trung-Phuc Vo¹, Olena Tkach^2,3, Sylvain Tricot⁴, Didier Sébilleau⁴, Olena Fedchenko², Hans-Joachim Elmers², Gerd Schönhense², and Ján Minár¹ — ¹New Technologies - Research Center, Univ West Bohemia, 30100 Pilsen, Czech Republic — ²Johannes Gutenberg-Universität, Institut für Physik, 55128 Mainz, Germany — ³Sumy State Univ, 40007 Sumy, Ukraine — ⁴Univ Rennes, CNRS, IPR (Institut de Physique de Rennes), F-35000, Rennes, France

Photoelectron diffraction (PED) is a powerful and driving experimental technique for resolving surface structures with sub-ångstrom resolution, namely bonding geometries of atoms and the local environment of impurity or dopant atoms inside surfaces. In high energy regime, PED effects are found in ARPES measurements beside other obstacles (low cross-sections, large photon momentum transfer, non-negligible phonon scattering). Here, to disentangle these diffraction influences and pronounced Kikuchi patterns, we present a PED implement for SPRKKR package which makes use of multiple scattering theory and one-step model in photemission process. In contrast to the other real space implementations of the multiple scattering PED formalism, we propose to use k-space implementation based on the layer KKR method. The main advantage is that we can without convergence problems (wrt. the angular momentum and cluster size) address very broad kinetic energy range (20-8000eV). A so-called alloy analogy model can be utilized to simulate XPD at finite temperatures.

Keywords: PED; CDAD; Kikuchi; Scattering; Diffraction