Molecular dynamics computer simulations of sputtering of benzene sample by large mixed Lennard-Jones clusters

Molecular dynamics computer simulations have been used to probe the role of the projectile composition on the emission efficiency and the sample damage. A benzene crystal was bombarded by 15 keV large heterogeneous noble gas clusters containing 2953 atoms. The projectiles used in this study are two-component clusters composed of Ne, Ar, and Kr atoms directed at 0° and 60° relative to the surface normal. It has been found that for normal incidence the total sputtering yield decreases with the projectile mass, whereas for 60° impact angle the yield increases with this quantity. For both 0° and 60° impact angles the observed sputtering yield for heterogeneous clusters cannot be calculated as a sum of sputtering yields obtained for homogeneous projectiles multiplied by the concentration of each component in the multi-component cluster. The difference in deposition scenarios of the primary kinetic energy is shown to be responsible for the observed behavior of the total sputtering yield.