This article is cited in 27 papers

Graphenes

Diamond-like phases prepared from graphene layers

E. A. Belenkov, V. A. Greshnyakov

Chelyabinsk State University

Abstract: The geometrically optimized structure of ten carbon diamond-like phases obtained by crosslinking graphene layers has been calculated using the density functional theory method and the structural parameters, densities, sublimation energies, and densities of electron states have been determined. Bulk moduli of diamond-like phases have been calculated using the PM3 semiempirical quantum-mechanical method. The X-ray powder diffraction patterns have been calculated based on structural parameters. These diffraction patterns can be used to identify new phases.

Received: 30.06.2014

 English version: Physics of the Solid State, 2015, 57:1, 205–212

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