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

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 ob...

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Detalles Bibliográficos
Publicado: 2017
Materias:
Alkali halides
Atoms
Condensed matter physics
Diffraction
Van der Waals forces
Alkali halide surfaces
Fast atom diffractions
Grazing incidence
Insulating surfaces
Intensity profiles
Projectile surface
Van der Waals effect
Van der Waals interaction
Density functional theory
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_17426588_v875_n12_p_Bocan
http://hdl.handle.net/20.500.12110/paper_17426588_v875_n12_p_Bocan
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_17426588_v875_n12_p_Bocan
record_format dspace
spelling paper:paper_17426588_v875_n12_p_Bocan2023-06-08T16:27:46Z Van der Waals effects in GIFAD for light atoms on insulating surfaces Alkali halides Atoms Condensed matter physics Diffraction Van der Waals forces Alkali halide surfaces Fast atom diffractions Grazing incidence Insulating surfaces Intensity profiles Projectile surface Van der Waals effect Van der Waals interaction Density functional theory 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. 2017 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_17426588_v875_n12_p_Bocan http://hdl.handle.net/20.500.12110/paper_17426588_v875_n12_p_Bocan
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Alkali halides
Atoms
Condensed matter physics
Diffraction
Van der Waals forces
Alkali halide surfaces
Fast atom diffractions
Grazing incidence
Insulating surfaces
Intensity profiles
Projectile surface
Van der Waals effect
Van der Waals interaction
Density functional theory
spellingShingle Alkali halides
Atoms
Condensed matter physics
Diffraction
Van der Waals forces
Alkali halide surfaces
Fast atom diffractions
Grazing incidence
Insulating surfaces
Intensity profiles
Projectile surface
Van der Waals effect
Van der Waals interaction
Density functional theory
Van der Waals effects in GIFAD for light atoms on insulating surfaces
topic_facet Alkali halides
Atoms
Condensed matter physics
Diffraction
Van der Waals forces
Alkali halide surfaces
Fast atom diffractions
Grazing incidence
Insulating surfaces
Intensity profiles
Projectile surface
Van der Waals effect
Van der Waals interaction
Density functional theory
description 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.
title Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_short Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_full Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_fullStr Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_full_unstemmed Van der Waals effects in GIFAD for light atoms on insulating surfaces
title_sort van der waals effects in gifad for light atoms on insulating surfaces
publishDate 2017
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_17426588_v875_n12_p_Bocan
http://hdl.handle.net/20.500.12110/paper_17426588_v875_n12_p_Bocan
_version_ 1768545483599380480

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