• 文献标题:   Structure and electronic properties of crystals consisting of graphene layers L (6), L (4-8), L (3-12), and L (4-6-12)
  • 文献类型:   Article
  • 作  者:   BELENKOV EA, KOCHENGIN AE
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   Chelyabinsk State Univ
  • 被引频次:   13
  • DOI:   10.1134/S1063783415100030
  • 出版年:   2015

▎ 摘  要

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.