Fast LEED intensity calculations for surface crystallography using Tensor LEED

The quantitative analysis of intensity spectra from low energy electron dif fraction is today's most widely used technique for the extraction of detail ed surface crystallographic information. The Erlangen Tensor LEED package T ensErLEED provides an efficient computer code for the fast computation of L EED intensity spectra from Virtually any periodic surface. For the full dyn amic reference calculation standard methods such as the muffin-tin approach and the layer stacking method are used. Amplitude changes in Tensor LEED a re accessible for geometric, vibrational and chemical displacements from th e reference structure. The package also contains a structural search algori thm designed for the retrieval of the global R-factor minimum between calcu lated and measured intensity spectra within a given portion of the paramete r space using Tensor LEED. (C) 2001 Elsevier Science B.V. All rights reserv ed.