Classification and Structure of Silicon Carbide Phases

摘要: Molecular-mechanical and semiempirical quantum-mechanical methods have been applied to simulate calculate a geometrically optimized structure of clusters polymorphic types silicon carbide, their structural parameters some properties (densities, sublimation energies) determined. A classification carbide phases has proposed, which shows the possible existence twenty one SiC whose atoms are at crystallographically equivalent sites. The structures seventeen proposed described studied for first time.