Crystal Structure of L₆, L_4-8, L_3-12 and L_4-6-12 Graphene Polymorphs

Abstract:

Calculations of the structure and electronic properties of crystals composed of graphene layers L₆, L_4-8, L_3-12 and L_4-6-12 were performed within the framework of density functional theory (DFT) with generalized gradient approximations (GGA). It was found out, that crystals of the four main types of graphene are to have metallic properties.

• Periodical: Materials Science Forum (Volume 845)
• Pages: 247-250
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.845.247
• Online since: March 2016
• Authors: Andrey Kochengin, Evgeniy A. Belenkov
• Keywords: Carbon, Crystal Structure, First Principles Calculations, Graphene, Polymorphism

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