The modeling of SiC phases on basis of nanostructures
Abstract
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 quantum-mechanical 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.
About the Authors
E. A. Belenkov
Chelyabinsk State University
Russian Federation
Russian Federation
Professor, Doctor of Science
Chelyabinsk
E. N. Agalyamova
Chelyabinsk State University
Russian Federation
Russian Federation
Post-graduate student
Chelyabinsk
V. A. Greshnyakov
Chelyabinsk State University
Russian Federation
Russian Federation
Post-graduate student
Chelyabinsk
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Review
For citations:
Belenkov E.A., Agalyamova E.N., Greshnyakov V.A. The modeling of SiC phases on basis of nanostructures. Nanosystems: Physics, Chemistry, Mathematics. 2011;2(3):79-92. (In Russ.)
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