Grazing incidence fast atom and molecule diffraction: theoretical challenges

Dı́az, Cristina; Gravielle, M. S.

doi:10.1039/d2cp01246d

Cited by 5 publications

(2 citation statements)

References 216 publications

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“…36 These calculations are presented as elastic, but no sharp peak 16 is present and the scattering profiles compare with the one called here inelastic, possibly because the Lamb-Dicke effect is not properly taken into account. In addition, the inelastic effects are probably underestimated because the author introduces a restriction in the thermal amplitude 37–39 that is supposed to guarantee an elastic scattering.…”

Section: Discussionmentioning

confidence: 99%

Elastic and inelastic diffraction of fast neon atoms on a LiF surface

Debiossac,

Pan,

Roncin

2023

Phys. Chem. Chem. Phys.

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Section: Discussionmentioning

confidence: 99%

Elastic and inelastic diffraction of fast neon atoms on a LiF surface

Debiossac,

Pan,

Roncin

2023

Phys. Chem. Chem. Phys.

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“…Grazing-incidence fast atom diffraction (GIFAD) has been the subject of extensive experimental and theoretical research since its first experimental reports in 2007 [1,2]. From the theoretical point of view, significant advances have been reached in the description of GIFAD over these 15 years [3]. Different theoretical methods, which range from classical and semiclassical (or semiquantum) approaches to full quantum calculations, have been applied to describe and analyze GIFAD experiments for a wide variety of crystal targets, not only at room temperature but also at higher temperatures [4].…”

Section: Introductionmentioning

confidence: 99%

Decoherent phonon effects in fast atom-surface scattering

Frisco¹,

Gravielle²

2023

Preprint

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The study of the influence of phonon-mediated processes on grazing-incidence fast atom diffraction (GIFAD) patterns is relevant for the use of GIFAD as a surface analysis technique. In this work, we apply the Phonon-Surface Initial Value Representation (P-SIVR) approximation to investigate lattice vibration effects on GIFAD patterns for the He/LiF(001) system at room temperature. The main features introduced by thermal lattice vibrations in the angular distributions of the scattered helium atoms are analyzed by considering normal energies in the 0.1 -3 eV range. In all the cases, thermal fluctuations introduce a wide polar spread that transforms the interference maxima into elongated strips. We found that the polar width of these maxima does not depend on the normal energy, as it was experimentally observed. In addition, when the normal energy increases, not only the relative intensities of interference peaks are affected by the crystal vibrations, but also the visibility of the interference structures, which disappear completely for normal energies approximately equal to 3 eV. These findings qualitatively agree with recent experimental data, but the simulated polar widths underestimate the experimentally-derived limit, suggesting that there are other mechanisms, such as inelastic phonon processes, that contribute to the polar dispersion of the GIFAD patterns.

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