Computer simulation of CAICISS spectra of clean Cu(1 0 0) surface and Cu(1 0 0) surface by Pt deposition

Abstract

The clean Cu(100) surface and Pt/Cu(100) surface by Pt deposition at room temperature have been investigated using the computer simulation of coaxial impact-collision ion scattering spectroscopy (CAICISS). The computer simulations employing the ACOCT program code, which treats the atomic collisions three-dimensionally and is based on the binary collision approximation (BCA), were carried out for the case of 3keV He+ ions incident along the 〈100〉 and 〈110〉 azimuths of the clean Cu(100) and Pt/Cu(100) surfaces. The comparisons between ACOCT results and experimental CAICISS data show that the experimental results on the clean Cu(100) surface are relatively well reproduced by the ACOCT simulations including the inward relaxation of 1.2% in the first interlayer spacing and the outward relaxation of 1.6% in the second interlayer spacing, and that the ACOCT simulations for the Pt deposition with coverages of 2.35ML and 2.75ML on the Cu(100) surface appear the concentrations of 0.24ML of Pt sitting 2.3Å and 0.25ML of Pt sitting 2.5Å above the outermost atomic layer, respectively.