Modeling of neutral-atom scattering at the surface of a crystal for the case of grazing incidence

Abstract

The features of the angular distributions of accelerated neutral atoms at grazing angles of incidence on the Al(001) surface are studied using the mathematical modeling method. The interaction of accelerated atoms with crystal-lattice atoms and the electronic properties and atomic structure of the Al(001) surface are calculated using the electron-density-functional method. The angular distributions of scattered atoms are modeled by taking into account their interaction with several atomic layers in the crystal lattice and atomic displacements during thermal oscillations. The influence of crystal surface-layer relaxation on rainbow scattering, i.e., the difference between the distances of planes on the surface and in the volume, is established. The possibilities of using the effect of rainbow scattering to study the structural features of a crystal surface are discussed.