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

30th International Conference on Photonic, Electronic, and Atomic Collisions

Bocan, G.A.^1 ; Fuhr, J.D.^1 ; Gravielle, M.S.^2

CONICET, Centro Atómico Bariloche, S.C. de Bariloche, Argentina^1

Instituto de Astronomía y Física Del Espacio (IAFE CONICET-UBA), Ciudad de Buenos Aires, Argentina^2

关键词: Alkali halide surfaces;    Fast atom diffractions;    Grazing incidence;    Insulating surfaces;    Intensity profiles;    Projectile surface;    Van der Waals effect;    Van der Waals interaction;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/875/12/112002/pdf
DOI  :  10.1088/1742-6596/875/12/112002

来源: IOP

【 摘 要 】

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. 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.