Two-step simulations of low-energy ion-beam mixing were performed on the basis of the combined use of molecular dynamics techniques and mixing equations. The simulations were applied to the 100eV Ar bombardment of a (100) crystal at temperatures of 0, 300 or 500K. It was found that the effect of temperature was to increase the sputtering yield at 300 and 500K, as compared to that at 0K. The change in the sputtering yield in going from 300 to 500K was insignificant. The production of stable vacancies, which occurred in the vicinity of the sputtered surface, increased with temperature; as did the number of adatoms at the surface. On the other hand, the number of stable interstitials in the bulk of the crystal decreased with temperature. The general mixing effect, which was defined to be the mean square displacement of atoms in collision cascades, increased with temperature. However, the mixing distortion of an initial pseudo-marker in the 17th atom layer during sputter removal was found to decrease with temperature. This was attributed to an increase in the sputtering yield with temperature, and to a reduction in the effective mixing range at 500K as compared with that at 0 or 300K.

G.V.Kornich, G.Betz: Nuclear Instruments and Methods in Physics Research B, 1996, 117[1-2], 81-9