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Bocan, G.A.; Gravielle, M.S. "GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction" (2018) Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 421:1-6
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Abstract:

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.

Registro:

Documento: Artículo
Título:GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction
Autor:Bocan, G.A.; Gravielle, M.S.
Filiación:Centro Atómico Bariloche, Av. Bustillo 9500, S.C. de Bariloche, 8400, Argentina
Instituto de Astronomía y Física del Espacio (IAFE, CONICET-UBA), Casilla de Correo 67, Sucursal 28, Buenos Aires, C1428EGA, Argentina
Palabras clave: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
Año:2018
Volumen:421
Página de inicio:1
Página de fin:6
DOI: http://dx.doi.org/10.1016/j.nimb.2018.02.004
Título revista:Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Título revista abreviado:Nucl Instrum Methods Phys Res Sect B
ISSN:0168583X
CODEN:NIMBE
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0168583X_v421_n_p1_Bocan

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Citas:

---------- APA ----------
Bocan, G.A. & Gravielle, M.S. (2018) . GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 421, 1-6.
http://dx.doi.org/10.1016/j.nimb.2018.02.004
---------- CHICAGO ----------
Bocan, G.A., Gravielle, M.S. "GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction" . Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms 421 (2018) : 1-6.
http://dx.doi.org/10.1016/j.nimb.2018.02.004
---------- MLA ----------
Bocan, G.A., Gravielle, M.S. "GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction" . Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, vol. 421, 2018, pp. 1-6.
http://dx.doi.org/10.1016/j.nimb.2018.02.004
---------- VANCOUVER ----------
Bocan, G.A., Gravielle, M.S. GIFAD for He/KCl(001). Structure in the pattern for 〈110〉 incidence as a measure of the projectile-cation interaction. Nucl Instrum Methods Phys Res Sect B. 2018;421:1-6.
http://dx.doi.org/10.1016/j.nimb.2018.02.004