Comparison of BC and MD simulations of low-energy ion implantation

Abstract

The range of applicability of the binary collision (BC) code Crystal-TRIM is studied by comparing with full molecular dynamics (MD) simulations. Range profiles and intersections of projectile trajectories with lattice planes are calculated for 250, 500 and 1000 eV silicon implantation into silicon, into axial channeling and “random” directions. Similar physical conditions are used for BC and MD simulations. It is shown that half of the differences between results of BC and MD calculations can be attributed to target-target interactions whereas the remainder is due to the BC approximation.