Wouter Van den Broek

Real-Space Simulation of Electron Scattering in Imperfect Crystals and Reconstruction of the Electrostatic Potential

The Bloch-wave approach [1] is a powerful and efficient tool for the simulation of diffraction patterns of ideal crystals. However, when deviations from perfect crystallinity are present, like strain fields, defects or interfaces for instance, only approximate solutions are possible anymore. The multislice algorithm [1] (MSA) is preferable in these cases because it does not require any additional approximations for imperfect structures since it is based in real space.