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O: Fachverband Oberflächenphysik
O 112: Development of Novel Methods I
O 112.4: Vortrag
Donnerstag, 19. März 2020, 16:00–16:15, WIL C107
The TensErLEED Management Package: A new environment for analysis and calculation of IV-LEED data — •Florian Kraushofer1, Michael Schmid1, Ulrike Diebold1, Lutz Hammer2, and Michele Riva1 — 1TU Wien, Vienna, Austria — 2FAU Erlangen-Nürnberg, Erlangen, Germany
Low Energy Electron Diffraction (LEED) is a structure sensitive technique commonly available in most surface science laboratories. Beyond the usual application as a tool to determine periodicity and degree of order of a surface phase, quantitative analysis of the modulation of beam intensities as a function of voltage (IV-LEED) allows direct comparison to theoretically predicted structural models. This, however, requires complex full-dynamical intensity calculations as well as a time-consuming optimization of structural parameters minimizing the deviation between experimental and calculated I(V) curves. The Erlangen program package TensErLEED [1] readily performs this task, but its required user input is almost prohibitively complex.
We show that for most cases, the necessary TensErLEED input can be generated automatically by combining a handful of user parameters, a set a default values, and a structure file in a standard format. Based on this, we introduce a new package that greatly simplifies the use of TensErLEED and substantially reduces the amount of work and potential for errors, even for experienced users. The package is completed by a versatile utility for extracting experimental I(V) spectra from a LEED video or a stack of LEED images.
[1] V. Blum, K. Heinz, Comput. Phys. Commun., 2001. 134(3)