Classification and structure of silicon carbide phases |
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Authors: | Belenkov E A Agalyamova E N Greshnyakov V A |
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Institution: | 1.Chelyabinsk State University, ul. Br. Kashirinykh 129, Chelyabinsk, 454001, Russia ; |
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Abstract: | Molecular-mechanical and semiempirical quantum-mechanical methods have been applied to simulate and calculate a geometrically
optimized structure of clusters of polymorphic types of silicon carbide, and their structural parameters and some properties
(densities, sublimation energies) have been determined. A classification of silicon carbide phases has been proposed, which
shows the possible existence of twenty one SiC phases whose atoms are at crystallographically equivalent sites. The structures
of seventeen proposed silicon carbide phases have been described and studied for silicon carbide for the first time. |
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