Regensburg 2022 – wissenschaftliches Programm
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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur
KFM 24: New Methods and Developments: Spectroscopies, Diffraction and Others (joint session O/KFM)
KFM 24.6: Vortrag
Donnerstag, 8. September 2022, 12:00–12:15, H6
ViPErLEED: A modern all-in-one LEED I(V) package — •Alexander M. Imre1, Florian Kraushofer1,2, Florian Doerr1, Tilman Kißlinger3, Michael Schmid1, Ulrike Diebold1, Lutz Hammer3, and Michele Riva1 — 1TU Wien, Vienna, Austria — 2TU Munich, Munich, Germany — 3FAU Erlangen-Nürnberg, Erlangen, Germany
Many surface science groups use Low-Energy Electron Diffraction (LEED) for quick, qualitative analysis of surface periodicity. Analysis of the beam intensities as a function of electron energy [LEED I(V)] is sensitive to surface atom positions at the picometer scale. Thus, comparison with calculated intensities can verify or reject structural models. Despite this, LEED I(V) is currently rather unpopular, largely because the available software solutions are not sufficiently user-friendly. To greatly lower the barrier of entry into the field, we present the Vienna Package for TensErLEED (ViPErLEED) which provides a truly all-in-one package for LEED I(V). ViPErLEED includes a freely available design for electronics that enable upgrading existing LEED setups for LEED I(V) use. With sophisticated image acquisition and processing methods, as well as an automated spot-tracking tool for curve extraction, we greatly simplify the most tedious parts of the experiment. For the calculation of intensities, the package includes a user-friendly front-end and an extensive overhaul to the established TensErLEED package that only requires a few standardized input files. We further describe automated symmetry detection, improvements to the structure search algorithm, and a Python API.