Article ID Journal Published Year Pages File Type
8040762 Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 2015 7 Pages PDF
Abstract
Diffraction experiments of atoms and molecules under fast grazing incidence conditions have opened a new field in surface science. This experimental effort calls for complementary theoretical studies, which would allow a detailed analysis of experimental data. Here, we have analyzed the ability of classical dynamics simulations to reproduce experimental results. To perform this study, a DFT (density functional theory) based potential energy surface, describing the interaction between a H atom and a LiF(1 0 0) surface, has been computed. Diffraction probabilities have been simulated by means of a classical binning method. Our results have been found to be in qualitative good agreement with recent experimental measurements.
Related Topics
Physical Sciences and Engineering Materials Science Surfaces, Coatings and Films
Authors
, , ,