• 文献标题:   EVOLUTION OF DIRAC CONE IN DISCLINATED GRAPHENE
  • 文献类型:   Article
  • 作  者:   ROZHKOV MA, KOLESNIKOVA AL, HUSSAINOVA I, KALITEEVSKII MA, ORLOVA TS, SMIRNOV YY, YASNIKOV IS, ZHIGILEI LV, BOUGROV VE, ROMANOV AE
  • 作者关键词:  
  • 出版物名称:   REVIEWS ON ADVANCED MATERIALS SCIENCE
  • ISSN:   1606-5131
  • 通讯作者地址:   ITMO Univ
  • 被引频次:   0
  • DOI:   10.1515/rams-2018-0057
  • 出版年:   2018

▎ 摘  要

Graphene crystals, containing arrays of disclination defects, are modeled and their energies are calculated using molecular dynamics (MD) simulation technique. Two cases are analyzed in details: (i) pseudo-graphenes, which contain the alternating sign disclination ensembles and (ii) graphene with periodic distribution of disclination quadrupoles. Electronic band structures of disclinated graphene crystals are calculated in the framework of density functional theory (DFT) approach. The evolution of the Dirac cone and magnitude of band gap in the band structure reveal a dependence on the density of disclination quadrupoles and alternating sign disclinations. The electronic properties of graphene with disclination ensembles are discussed.