THE THRESHOLD ENERGY FOR DEFECT PRODUCTION IN SIC - A MOLECULAR-DYNAMICS STUDY

We discuss the results of molecular dynamics computer simulation studi es of the threshold energy for defect production in beta-SiC. The simu lations are performed with the Tersoff potential for SiC which provide s accurate values of many of its defect properties. In addition, we sh ow that it properly describes the melting behavior of SiC. Simulations were carried out for Si and C recoils in three-dimensional cubic comp utational cells with periodic boundary conditions and up to 4096 atoms . The results show anisotropy in the threshold for Si and C recoils as well as for the recoil direction. The lowest threshold is 25 eV for C recoils along [111] and the highest is 85 eV for Si recoils along [11 0]. Details of the defect configurations obtained will be discussed.