An MD Study of the Temperature E®ect on H Interacting with SiC (100)

Molecular dynamics simulations were performed to study the interaction between atomic hydrogen and silicon carbide. In the present study, we focus on the effect of the surface temperature on H interacting with silicon carbide. The simulation results show that the retention of H atoms in the sample decreases linearly with increasing surface temperature. The depth profile analysis shows that the sample is modified by H bombardment, and the density of H atoms is greater than those of Si and C atoms near the interface region between the H-containing region and the bulk. However, near the surface region the densities of H, Si and C atoms are almost equivalent. In the modi¯ed layer, the bonds consist of Si-C and Si-H and C-H. The fraction of Si-C bonds is the greatest. Only a few C-H bonds are present.