3-DIMENSIONAL 3-ATOM MODEL FOR COMPUTER-SIMULATION OF IMPACT-COLLISION ION-SCATTERING SPECTROSCOPY

A new model for computer simulation of impact-collision ion scattering spectroscopy (ICISS) has been developed. By this model, the scattering cross section of the three target atoms arbitrarily placed in the three-dimensional space can be calculated. This made it possible to interpret ICISS data including shadowing and blocking effects from out-of-plane scattering. The method is also effective in the case that the scattering angle is not 180-degrees. As an example, ICISS data of the NbC(111) surface along the [110BAR] azimuth have been analysed. The result of the calculation is in a good agreement with the experimental data. The computational time is sufficiently short, so this method is useful for a quantitative analysis of ICISS data with arbitrary scattering angle and azimuth.