This article is cited in 14 papers

Atomic clusters

Classification and structure of silicon carbide phases

E. A. Belenkov, E. N. Agalyamova, V. A. Greshnyakov

Chelyabinsk State University

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.

Received: 13.04.2011
Accepted: 12.07.2011

 English version: Physics of the Solid State, 2012, 54:2, 433–440

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