Application of the semiclassical perturbation approximation to scattering from surfaces. Generalization to include phonon inelasticity

Abstract

The semiclassical perturbation (SCP) approximation of Miller and Smith is applied to the inelastic scattering of atoms from solid surfaces. Earlier applications of this approach have been to diffraction (i.e., elastic scattering) of He from LiF and to diffraction and rotationally inelastic scattering of H2 from LiF, and the present work is an extension which allows for motion of the surfaces atoms (and thus phonon inelasticity). Therefore, phenomena that involve energy transfer between the surface and gas molecules can be described. In the present work sticking probabilities are calculated for He–W(110) and Ne–W(110), and the results show that a simple model such as this one can be quite useful in predicting energy transfer in gas–solid scattering systems.

Communication: Semiclassical perturbation theory for the quantum diffractive scattering of atoms on thermal surfaces

“…8 What is new here is the derivation of the same result, based on the SCP theory of Hubbard and Miller. 7 This derivation is valid also for very low temperatures, justifying its usage by Andersson et al 10 The one phonon contribution follows similar lines. Any oscillator is allowed to add or lose one phonon, so that n j f − n j i = ±1.…”

Selective adsorption resonances: Quantum and stochastic approaches

“…The semiclassical theory, initially developed to study both inelastic and reactive molecular collisions, was shortly after adapted [288,289] and applied [290][291][292][293][294] to atom-surface scattering. However, despite its interpretational advantages in providing a classical picture of scattering phenomena, this theory can only be exactly applied to elastic scattering, being necessary the use of additional approximations in the inelastic case [293,294]. Moreover, comparisons with other approximate quantum methods have shown [291,292] that the semiclassical approach only provides better results for low surface corrugation.…”

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

“…24,25 The semiclassical initial value representation used in Ref. 24 is based on the first order perturbation theory solution of the classical equations of motion.…”

“…24,25 The semiclassical initial value representation used in Ref. 24 is based on the first order perturbation theory solution of the classical equations of motion. This first order theory provides relatively simple expressions for the diffraction pattern of a particle scattered on a corrugated surface.…”