GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction

In this article we address grazing incidence fast atom diffraction (GIFAD) for the He/KCl(001) system, for which a systematic experimental study was recently reported [E. Meyer, Ph.D dissertation, Humboldt-Universität, Berlin, Germany, 2015]. Our theoretical model is built from a projectile-surface...

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Detalles Bibliográficos
Publicado: 2018
Materias:
GIFAD
He-KCl(001)
Diffraction
Potassium compounds
Projectiles
Cation interactions
Equipotential curves
Fast atom diffractions
Initial value representation
Interaction potentials
KCL(001)
Theoretical modeling
Density functional theory
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0168583X_v421_n_p1_Bocan
http://hdl.handle.net/20.500.12110/paper_0168583X_v421_n_p1_Bocan
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_0168583X_v421_n_p1_Bocan
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spelling paper:paper_0168583X_v421_n_p1_Bocan2023-06-08T15:17:53Z GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction GIFAD He-KCl(001) Diffraction Potassium compounds Projectiles Cation interactions Equipotential curves Fast atom diffractions GIFAD Initial value representation Interaction potentials KCL(001) Theoretical modeling Density functional theory In this article we address grazing incidence fast atom diffraction (GIFAD) for the He/KCl(001) system, for which a systematic experimental study was recently reported [E. Meyer, Ph.D dissertation, Humboldt-Universität, Berlin, Germany, 2015]. Our theoretical model is built from a projectile-surface interaction obtained from Density Functional Theory (DFT) calculations and the Surface Initial-Value Representation (SIVR), which is a semi-quantum approach to describe the scattering process. For incidence along the 〈100〉 and 〈110〉 directions, we present and discuss the main features of our interaction potential, the dependence of the rainbow angle with the impact energy normal to the surface, and the simulated GIFAD patterns, which reproduce the main aspects of the reported experimental charts. The features of the diffraction charts for He/KCl(001) are related to the averaged equipotential curves of the system and a comparison is established with the case of He/LiF(001). The marked differences observed for 〈110〉 incidence are explained as due to the much larger size of the K+ ion relative to that of Li+. © 2018 Elsevier B.V. 2018 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0168583X_v421_n_p1_Bocan http://hdl.handle.net/20.500.12110/paper_0168583X_v421_n_p1_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 GIFAD
He-KCl(001)
Diffraction
Potassium compounds
Projectiles
Cation interactions
Equipotential curves
Fast atom diffractions
GIFAD
Initial value representation
Interaction potentials
KCL(001)
Theoretical modeling
Density functional theory
spellingShingle GIFAD
He-KCl(001)
Diffraction
Potassium compounds
Projectiles
Cation interactions
Equipotential curves
Fast atom diffractions
GIFAD
Initial value representation
Interaction potentials
KCL(001)
Theoretical modeling
Density functional theory
GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
topic_facet GIFAD
He-KCl(001)
Diffraction
Potassium compounds
Projectiles
Cation interactions
Equipotential curves
Fast atom diffractions
GIFAD
Initial value representation
Interaction potentials
KCL(001)
Theoretical modeling
Density functional theory
description In this article we address grazing incidence fast atom diffraction (GIFAD) for the He/KCl(001) system, for which a systematic experimental study was recently reported [E. Meyer, Ph.D dissertation, Humboldt-Universität, Berlin, Germany, 2015]. Our theoretical model is built from a projectile-surface interaction obtained from Density Functional Theory (DFT) calculations and the Surface Initial-Value Representation (SIVR), which is a semi-quantum approach to describe the scattering process. For incidence along the 〈100〉 and 〈110〉 directions, we present and discuss the main features of our interaction potential, the dependence of the rainbow angle with the impact energy normal to the surface, and the simulated GIFAD patterns, which reproduce the main aspects of the reported experimental charts. The features of the diffraction charts for He/KCl(001) are related to the averaged equipotential curves of the system and a comparison is established with the case of He/LiF(001). The marked differences observed for 〈110〉 incidence are explained as due to the much larger size of the K+ ion relative to that of Li+. © 2018 Elsevier B.V.
title GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
title_short GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
title_full GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
title_fullStr GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
title_full_unstemmed GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
title_sort gifad for he/kcl(001). structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
publishDate 2018
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0168583X_v421_n_p1_Bocan
http://hdl.handle.net/20.500.12110/paper_0168583X_v421_n_p1_Bocan
_version_ 1768546579802750976

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