Macro- and Microsimulations for a Sublimation Growth of SiC Single Crystals
Figure 2
Optimized
geometry of the C-face of the (000-1) SiC surface as initial starting point for
QM/MD simulations. Blue spheres correspond to silicon atoms, purple spheres
correspond to carbon atoms, and white spheres correspond to hydrogen atoms
terminating the slab model in bulk direction. The model is the unit cell used
in periodic boundary calculations with infinite surface extension.