Fast LEED intensity calculations for surface crystallography using Tensor LEED

Published: 1 March 2001| Version 1 | DOI: 10.17632/js36dx77rz.1
V. Blum, K. Heinz


Abstract The quantitative analysis of intensity spectra from low energy electron diffraction is today's most widely used technique for the extraction of detailed surface crystallographic information. The Erlangen Tensor LEED package TensErLEED provides an efficient computer code for the fast computation of LEED intensity spectra from virtually any periodic surface. For the full dynamic reference calculation, standard methods such as the muffin-tin approach and the layer stacking method are used. Ampli... Title of program: TensErLEED Catalogue Id: ADNI_v1_0 Nature of problem The quantitative analysis of low energy electron diffraction (LEED) intensity vs. energy I(E) spectra is an important tool to obtain surface crystallographic information [1-4]. Direct methods to extract such information from LEED data work in special cases only. One generally resorts to a trial-and-error technique, comparing calculated I(E)-curves for different surface geometries to spectra measured from a real surface in order to retrieve the correct structural parameters by way of a best fit. ... Versions of this program held in the CPC repository in Mendeley Data ADNI_v1_0; TensErLEED; 10.1016/S0010-4655(00)00209-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Crystallography, Computational Physics