Regensburg 2025 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 11: Electronic Structure of Surfaces: Spectroscopy, Surface States I
O 11.7: Vortrag
Montag, 17. März 2025, 16:30–16:45, H4
Unveiling the Role of Inelastic Mean Free Path in Photoelectron Diffraction: A Computational Study by Multiple Scattering — •Trung-Phuc Vo1,2, Olena Tkach3, Sylvain Tricot4, Didier Sébilleau4, Aimo Winkelmann5, Olena Fedchenko3, Yaryna Lytvynenko3,6, Dmitry Vasilyev3, Hans-Joachim Elmers3, Gerd Schönhense3, and Ján Minár1 — 1Univ. West Bohemia, Czech Republic — 2Institute of Physics, Czech Academy of Sciences, Czech Republic — 3Univ. Mainz, Germany — 4Univ. Rennes, IPR, France — 5AGH Univ. Krakow, Poland — 6Institute of Magnetism of the NAS of Ukraine and MES of Ukraine, Ukraine
The inelastic mean free path (IMFP) of electrons near solid surfaces describes the average distance an electron travels through a solid before losing its kinetic energy via inelastic collisions. In surface analysis techniques such as photoelectron diffraction (PED), a short IMFP makes photoelectrons highly surface sensitive, allowing precise structural determination of surfaces. Conversely, a longer IMFP allows access to deeper layers, facilitating the study of bulk properties. The influence of the IMFP on PED is particularly evident with the advent of advanced time-of-flight (ToF) measurements. Controlling this key parameter is crucial. In this work, we summarize the PED implementation within the SPRKKR package and systematically explore its application over a wide kinetic energy range (106-1036 eV) for Ge 3d core levels. Our computational efforts provide insight into both Kikuchi diffraction patterns and their relation to valence band mapping, thus bridging PED analysis with electronic structure studies.
Keywords: IMFP; PED; Scattering; Kikuchi; Diffraction