Structure analysis of Pd(110) surface by computer simulation of NICISS

The relaxation at a Pd(1 1 0) surface has been estimated using the Computer simulation of 165 degrees neutral impact-collision ion scattering spectros copy (NICISS). The computer simulations employing ACOCT program code treate d three-dimensionally the atomic collisions and based on the binary collisi on approximation (BCA) were performed for the case of 2.08 keV Ne+ ions inc ident along the [1 (1) over bar 2] azimuth of the Pd(1 1 0) surface. The ex perimental results of Speller et al, (Surf. Sci. 383 (1997) 131) are well r eproduced by the ACOCT simulations including the inward relaxation of 14% o f the first interlayer spacing and including the vertical component of surf ace Debye temperature of 125 K. (C) 2001 Elsevier Science B.V. All rights r eserved.