Model calculations of atom-surface scattering

摘要: Abstract The elastic scattering of light mass, thermal-energy atoms from simple surfaces is investigated. surface represented by the model a single planar square array hard spheres. effect potential well treated semiclassically simply shifting energy incident atom ; furthermore constant imaginary term added to account for inelastic and adsorption. As in multiple formalism LEED total matrix lattice expanded terms individual gas atom-surface t -matrices. Propagation on described one particle Green's function propagator with complex energy. series are summed all orders, using standard inversion techniques. size be inverted limits ten number phase shifts that included calculation. Thermal effects through angle dependent Debye-Waller factors. Model calculations have been performed study intensity specular diffracted beams as angles incidence. importance temperature (introduced factors), depth gas-surface interaction discussed. main feature results decrease beam going glancing incidence normal presence structure due appearance disappearance across surface. azimuthal behavior agreement experimental observations.