Molecular dynamics simulations of the sputtering of SiC and Si 3N 4

Abstract

Molecular dynamics simulations of the sputtering of β-SiC and α-Si 3N 4 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 more 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 (in the interesting range for PVD deposition, i.e. 20–1000 eV). The results of the MD simulations have been compared with the results of our own experiments for the determination of the sputter yield and literature data and a good agreement has been found on the complete low energy range. Furthermore, the dependence of the sputter yield on the crystal orientation and the different ratios of the sputtered species was investigated.