The modeling of SiC phases on basis of nanostructures

The classification scheme and modeling method of formation of silicon carbide phases on basis of nanostructures was offered. The geometrically optimized structure of silicon carbide clusters was calculated by molecular mechanics methods and semiempirical quantummechanical methods; the structural parameters and some properties, such as density and energy of sublimation were defined. It was established that twenty silicon carbide phases can exist. The structure of seventeen of them was featured for the first time for silicon carbide.