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
Autores principales:	Bocan, G.A., Fuhr, J.D., Gravielle, M.S., Kheifets A., Hodgman S., Machacek J., Bray A.
Formato:	CONF
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:	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	todo:paper_17426588_v875_n12_p_Bocan
record_format	dspace
spelling	todo:paper_17426588_v875_n12_p_Bocan2023-10-03T16:31:14Z Van der Waals effects in GIFAD for light atoms on insulating surfaces Bocan, G.A. Fuhr, J.D. Gravielle, M.S. Kheifets A. Hodgman S. Machacek J. Bray A. 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. CONF info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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 Bocan, G.A. Fuhr, J.D. Gravielle, M.S. Kheifets A. Hodgman S. Machacek J. Bray A. 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.
format	CONF
author	Bocan, G.A. Fuhr, J.D. Gravielle, M.S. Kheifets A. Hodgman S. Machacek J. Bray A.
author_facet	Bocan, G.A. Fuhr, J.D. Gravielle, M.S. Kheifets A. Hodgman S. Machacek J. Bray A.
author_sort	Bocan, G.A.
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
url	http://hdl.handle.net/20.500.12110/paper_17426588_v875_n12_p_Bocan
work_keys_str_mv	AT bocanga vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces AT fuhrjd vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces AT graviellems vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces AT kheifetsa vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces AT hodgmans vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces AT machacekj vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces AT braya vanderwaalseffectsingifadforlightatomsoninsulatingsurfaces
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Van der Waals effects in GIFAD for light atoms on insulating surfaces

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