Abstract
The photoelectron diffraction (PED) is an element and chemical selective technique, which have been used for surface structure determinations. Due the complexity phenomena of low-energy photoelectron diffraction, obtain the structure by holographic inversion method from the experimental data present difficulties which unfeasible the method. To perform a structure determination It s necessary use the comparative method between the experimental and theoretical data from a hypothetical structure in a try-and-error approach, which could spent high computational time. In this project we have developed a Particle Swarm Optimization (PSO) algorithm for structural determination using the PED technique.
Highlights
The photoelectron diffraction (PED) is based on the photoelectric effect where a photoelectron is ejected from an atom by absorbing an x-ray photon
Particle Swarm Optimization (PSO) can be split in two branches, the global and local topology, which have been extensively studied in literature
In this project we have implemented a hybrid topology (HPSO) [3,4] that consists in changing from local to global topology, with the purpose to search for global minimum and improve the convergence rate
Summary
Introduction The PED is based on the photoelectric effect where a photoelectron is ejected from an atom by absorbing an x-ray photon. During the transport of the photoelectron from the emitter atom to the electron detector it can be scattered by the electrostatic potential of the neighbor atoms that produces an interference pattern, a PED pattern, which brings information about the atomic structure surrounding the emitter [1]. To proper determine the surface structure that has generated the PED pattern, it is necessary to theoretically simulate such a pattern and compare it with the experimental data.
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