Theoretical studies of atom-solid elastic scattering by iterative integration using the Green function

The elastic scattering of low-energy light atoms from a perfect crystalline surface is studied by an iterative integration scheme using the Green function. The atom-solid interaction is represented by the often used Morse type surface potential. A varying number of closed and open channels is included in the calculation, according to necessicity. For a beam incident along the cyrstal symmetry directions, a scheme to utilize the symmetry condition for efficient computation is proposed. The diffraction intensities at a bound state resonance (selective adsorption) are calculated by properly selecting a reference potential for the calculation of the Green function. The calculations yield the resonant diffraction intensity patterns in agreement with previous calculations using a different numerical technique and with the experimental observations for the HeLiF and HeNaF systems. A calculation including 69 allowed diffracted beams (open channels) for the HeLiF system at normal incidence is also presented and comparison with experimental results is made to estimate the periodic potential parameter.