Molecular dynamics simulations of the sputtering of SiC and Si3N4

Molecular dynamics simulations of the sputtering of beta-SiC and alpha-Si3N4 surfaces by Ar atoms were performed using IMD and Materials Explorer software with a combination of the Tersoff and the Ziegler-Biersack-Littmark (ZBL) potential in order to get a better insight into the sputter process. In the MD simulations, the sputter yield was determined for both materials as a function of the energy of the incident Ar atoms. The results of the MD simulations were compared with the results of these experiments for the determination of the sputter yield and literature data. Good agreement was found in the complete low energy range. The dependence of the sputter yield on the crystal orientation and the different ratios of the sputtered species were also investigated.