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JOURNALS // University proceedings. Volga region. Physical and mathematical sciences // Archive

University proceedings. Volga region. Physical and mathematical sciences, 2011 Issue 2, Pages 105–112 (Mi ivpnz573)

This article is cited in 2 papers

Physics

Computer modeling of the physical properties of supracrystals

R. A. Brazwe, A. A. Karenin

Ulyanovsk State Technical University, Ulyanovsk

Abstract: The article demonstrates the possibility of solid state crystalline structures existence, which are called supracrystals. Unlike ordinary crystals, there are no separate atoms or ions in the nodes of crystalline lattices. They are replaced by symmetric atomic associates. The authors determines symmetry classes of 2D- and 3D-supracrystals. The bond length, energy per one atom, bond energy, and gap energy of 2D- and 3D-supracrystals consist of C, Si, B, N, S are calculated by the program A-5.8.4 in Hartree - Fock approximation. Unusual properties of supracrystals are of interest for their production and practical use.

Keywords: supracrystals, bond energy, gap energy.

UDC: 539.23:548.12



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