Classical and quantum mechanical rainbow-scattering of fast He atoms from a KCl(0Â 0Â 1) surface

Fast He atoms with energies from 200 eV up to 16 keV are scattered under grazing polar angles of incidence from a flat and clean KCl(0 0 1) surface. For scattering along low-index directions (axial surface channeling) we observe pronounced peaks in the angular distributions of scattered projectiles which can be attributed to rainbow scattering. From classical and semiclassical trajectory calculations based on individual Hartree-Fock pair and density functional theory (DFT) potentials, we obtain corresponding rainbow angles for comparison with the experimental data. The calculations were performed taking into account the rumpling of K and Cl in the topmost surface layer. Fair agreement with the experimental data is found for scattering along 〈1 0 0〉 for DFT as well as individual pair potentials calculated from Hartree-Fock wave functions.