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Title: Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system

Abstract

The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.

Authors:
;  [1]
  1. Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovoth (Israel)
Publication Date:
OSTI Identifier:
22415731
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANGULAR DISTRIBUTION; ARGON; ATOMS; COPPER; CRYSTAL STRUCTURE; KRYPTON; NEON; OSCILLATORS; PERTURBATION THEORY; PHONONS; SCATTERING; SEMICLASSICAL APPROXIMATION; SURFACES

Citation Formats

Daon, Shauli, and Pollak, Eli. Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system. United States: N. p., 2015. Web. doi:10.1063/1.4919345.
Daon, Shauli, & Pollak, Eli. Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system. United States. doi:10.1063/1.4919345.
Daon, Shauli, and Pollak, Eli. Thu . "Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system". United States. doi:10.1063/1.4919345.
@article{osti_22415731,
title = {Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system},
author = {Daon, Shauli and Pollak, Eli},
abstractNote = {The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.},
doi = {10.1063/1.4919345},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 17,
volume = 142,
place = {United States},
year = {2015},
month = {5}
}