Institute of Solid State Physics


Automated comparison of theory and experiment (LEED simulation)      >> more >>

Because theory allows creating a multitude of different structures, finding the one that corresponds to the one measured in experiment is often non-trivial. The situation is complicated by the fact that often different choices for unit cells exist, whose equivalence is not necessarily obvious. To solve this conundrum, we need to simulate observables directly related to the atomic structure, such as the diffraction pattern, and compare the results to experimentally obtained result. The aim of this thesis is to write a tool that simulates the theoretical spectrum and analyses the similarity to the experiment.



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