Van der Waals effects in GIFAD for light atoms on insulating surfaces

G A Bocan,M S Gravielle,J D Fuhr

doi:10.1088/1742-6596/875/12/112002

Abstract

SynopsisWe theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces. We combine a description of the projectile-surface interaction obtained from density functional theory (DFT) calculations with a semiquantum treatment of the dynamics. We obtain simulated intensity profiles and compare them with reported experimental GIFAD patterns. For different systems and incidence conditions we focus on the relevance of van der Waals (vdW) interactions on the diffraction patterns.

Highlights

- Surface analysis with grazing incidence fast atom diffraction (GIFAD) Patrick Rousseau, Hocine Khemliche, Nenad Bundaleski et al
Synopsis We theoretically address grazing incidence fast atom diffraction (GIFAD) for light atoms on insulating alkali-halide surfaces
We combine a description of the projectile-surface interaction obtained from density functional theory (DFT) calculations with a semiquantum treatment of the dynamics

Summary

Introduction

- Surface analysis with grazing incidence fast atom diffraction (GIFAD) Patrick Rousseau, Hocine Khemliche, Nenad Bundaleski et al. Related content van der Waals effects in GIFAD for light atoms on insulating surfaces - Fast atom diffraction of H and He from a LiF(001) surface: semi-quantum approach M S Gravielle, J E Miraglia and G A Bocan

Results

Conclusion