Temperature dependence of diffracted beam intensities in atom--surface scattering

Journal Article · Thu Aug 15 04:00:00 EDT 1985 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.449333· OSTI ID:5402853

Jackson, B; Metiu, H

We develop a new method for the calculation of the atom scattering analog of the Debye--Waller factor. Unlike x-ray and neutron scattering the properties of an atom scattered by a solid surface cannot be computed by perturbation theory; therefore the simple Debye--Waller theory cannot be applied. Nevertheless the Debye--Waller phenomenon has a close analog: the elastic intensity is depressed due to the uncorrelated part of the thermal motion of the lattice atoms. To compute this effect we develop a time dependent scattering theory in which the quantum properties of the scattered atom are described by propagating coherently an ensemble of wave packets and lattice motion is simulated by a classical Langevin equation. Applications are made to He and Ne scattering from a surface whose lattice dynamics mimics that of Pt(111) but whose corrugation was slightly increased to enrich the diffraction structure.

• Research Organization: Department of Chemistry, University of California, Santa Barbara, California 93106
• OSTI ID: 5402853
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 83:4; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640301* -- Atomic
Molecular & Chemical Physics-- Beams & their Reactions
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ATOM COLLISIONS
COHERENT SCATTERING
COLLISIONS
DEBYE-WALLER FACTOR
DIFFRACTION
LATTICE VIBRATIONS
SCATTERING
SURFACES
TEMPERATURE DEPENDENCE