Scattering of H(D) from LiF(100) under fast grazing incidence conditions: To what extent is classical dynamics a useful tool?

作者：Muzas A S; Martin F; Diaz C^*

来源：Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms , 2015, 354: 9-15.

DOI：10.1016/j.nimb.2014.11.009

• Grazing incidence
• Scattering
• Classical dynamics

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(100) 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.

• 出版日期2015-7-1