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Mixed MD simulation – analytical model analysis of Ag(111), C60 repetitive bombardment in the context of depth profiling for dynamic SIMS


Robert J. Paruch, Smoluchowski Institute of Physics, Jagiellonian University, ul. Reymonta 4, 30–059 Krakow, Poland.



In this study, an analytical model is utilised to extract depth profiles from molecular dynamics simulations of dynamic secondary ion mass spectrometry (SIMS). The depth profiles for dynamic SIMS calculations for a reference system of C60 bombardment of Ag(111) with a kinetic energy of 20 keV and a polar angle of 0° are compared to those for 5 keV bombardment with a polar angle of 0° and 20 keV bombardment with a polar angle of 70°. It is shown that both decreasing the impact energy and making the polar angle more off-normal improve the depth resolution of the SIMS depth profile. The former condition, however, reduces the total sputtering yield achievable in the dynamic conditions making it less favourable for the depth profiling. It is also shown that the depth resolution dependence upon RMS roughness is not obvious when changing the primary beam conditions. Copyright © 2012 John Wiley & Sons, Ltd.