Paper detail

Shower approach in the simulation of ion scattering from solids

An efficient approach for the simulation of ion scattering from solids is proposed. For every encountered atom, we take multiple samples of its thermal displacements among those which result in scattering with high probability to finally reach the detector. As a result, the detector is illuminated by intensive "showers", where each event of detection must be weighted according to the actual probability of the atom displacement. The computational cost of such simulation is orders of magnitude lower than in the direct approach and a comprehensive analysis of multiple and plural scattering effects becomes possible. We use the new method for two purposes. First, the accuracy of the approximate approaches, developed mainly for ion-beam structural analysis, is verified. Second, the possibility to reproduce a wide class of experimental conditions is used to analyze some basic features of ion-solid collisions: the role of double violent collisions in low-energy ion scattering; the origin of the "surface peak" in scattering from amorphous samples; the low-energy tail in the energy spectra of scattered medium-energy ions due to plural scattering; the degradation of blocking patterns in 2D angular distributions with increasing depth of scattering. As an example of simulation for ions of MeV energies, we verify the time-reversibility for channeling/blocking of 1 MeV protons in a W crystal. The possibilities of analysis that our approach offers may be very useful for various applications in particular for structural analysis with atomic resolution.