Interaction Between Atomic Projectiles and a Crystal Surface at Grazing Incidence: Computer Simulation

TL;DR

This paper uses computer simulations based on electron density functional theory to study how atomic projectiles scatter off crystal surfaces at grazing angles, matching experimental data and exploring potential for reconstructing interaction potentials.

Contribution

It introduces a simulation approach combining electron density functional calculations with atomic layer interactions to analyze grazing incidence scattering.

Findings

Good agreement with experimental scattering data

Reconstruction of ion-atom interaction potential possible

Dependence of rainbow scattering angle on kinetic energy established

Abstract

Features of the angular distributions of accelerated atomic projectiles at grazing angles of incidence on the crystal surface are studied by using the computer simulation. The interaction between the projectiles and the crystal-lattice atoms and atomic structure of the crystal surface are calculated by means of the electron density functional method. The angular distributions of scattered projectiles are simulated by taking into account their interaction with several atomic layers in the crystal lattice and atomic thermal displacements. Good agreement between the calculated results and known experimental data is achieved. A possibility of reconstructing the ion-atom dynamic interaction potential from the dependence of the rainbow scattering angle of nitrogen atoms under conditions of grazing incidence on the surface of an aluminum crystal on the total kinetic energy of the accelerated atomic particles is shown.