Journal of Chemical Physics, Vol.115, No.18, 8643-8654, 2001
Self-sputtering of silver by mono- and polyatomic projectiles: A molecular dynamics investigation
The self-sputtering of silver under bombardment with Ag-m (m=1,2,3) projectiles has been investigated by molecular dynamics (MD) simulation using the many body MD/MC-Corrected Effective Medium Potential developed by DePristo and co-workers. More specifically, the total sputtering yield as well as the mass distribution, i.e., the distribution of monomers and clusters within the flux of sputtered particles were calculated. For di- and triatomic projectiles, we observe a pronounced dependence of the calculated yields on the orientation of the incoming cluster, whereas the internuclear distance (and thus vibrational excitation of the projectile) does not seem to play a significant role. When averaged over the impact orientation, the calculated yields per projectile atom exhibit a distinct nonlinear enhancement when compared to the respective values calculated for monatomic projectiles of the same impact velocity. The abundances of nascent and final Ag-n clusters (identified immediately above and far away from the surface, respectively) within the sputtered flux are found to be significantly enhanced under polyatomic projectile bombardment, the effect increasing with increasing size of the sputtered cluster. Moreover, clusters produced under polyatomic bombardment appear to be colder, a finding which might be of considerable interest in the light of mass spectrometric surface analysis techniques.