Comment on "Perturbation theory of scattering for grazing-incidence fast-atom diffraction", by W. Allison, S. Miret-Artés and E. Pollak, Phys. Chem. Chem. Phys. , 2022, 24 , 15851

In this comment we discuss some aspects of , 2022, , 15851, by Allison , an article intensely motivated by our study of grazing incidence fast atom diffraction (GIFAD) for He-KCl(001) [G. A. Bocan, H. Breiss, S. Szilasi, A. Momeni, M. E. Staicu Casagrande, M. S. Gravielle, E. A. Sánchez and H. Kheml...

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Published in:Physical chemistry chemical physics : PCCP 2023-12, Vol.25 (48), p.33193-33197
Main Authors: Bocan, Gisela Anahí, Breiss, Hanadi, Szilasi, Samir, Momeni, Anouchah, Staicu Casagrande, Elena Magdalena, Sánchez, Esteban Alejandro, Gravielle, María Silvia, Khemliche, Hocine
Format: Article
Language:English
Subjects:
Chemical Physics
Density functional theory
Diffraction
Grazing incidence
Perturbation theory
Physics
Surface corrugation
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Summary:In this comment we discuss some aspects of , 2022, , 15851, by Allison , an article intensely motivated by our study of grazing incidence fast atom diffraction (GIFAD) for He-KCl(001) [G. A. Bocan, H. Breiss, S. Szilasi, A. Momeni, M. E. Staicu Casagrande, M. S. Gravielle, E. A. Sánchez and H. Khemliche, , 2020, , 096101; G. A. Bocan, H. Breiss, S. Szilasi, A. Momeni, M. E. Staicu Casagrande, E. A. Sánchez, M. S. Gravielle and H. Khemliche, , 2021, , 235401]. In particular, (a) we show that, contrary to first order perturbation prediction, the surface corrugation is not proportional to the tangent of the rainbow angle and, (b) we analyze whether a Morse-like formula, like the one Allison use, is able to reproduce the atom-surface potential derived from density functional theory (DFT) calculations. In addition, we give some clarifications regarding specific remarks the authors made about our articles.
ISSN:1463-9076
1463-9084
DOI:10.1039/d3cp02486e