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JOURNALS // Fizika Tverdogo Tela // Archive

Fizika Tverdogo Tela, 2015 Volume 57, Issue 10, Pages 2071–2078 (Mi ftt11679)

This article is cited in 32 papers

Graphenes

Structure and electronic properties of crystals consisting of graphene layers $L_6$, $L_{4-8}$, $L_{3-12}$, and $L_{4-6-12}$

E. A. Belenkov, A. E. Kochengin

Chelyabinsk State University

Abstract: The structure and electronic properties of crystals consisting of graphene layers of four main polymorphic modifications, namely, $L_6$, $L_{4-8}$, $L_{3-12}$, and $L_{4-6-12}$, have been calculated in the framework of the density functional theory (DFT) using the generalized gradient approximation (GGA). The structural characteristics of individual layers and their relative positions that correspond to the minimum energy of interlayer bonds in the crystals have been found from the calculations. The electron densities of states and band structure of graphene crystals have been calculated. It has been established that crystals consisting of the main polymorphic modifications of graphene should exhibit metallic properties.

Received: 31.03.2015
Accepted: 14.04.2015


 English version:
Physics of the Solid State, 2015, 57:10, 2126–2133

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