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Evolution of Dirac Cone in Disclinated Graphene
2018
Reviews on Advanced Materials Science
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
doi:10.1515/rams-2018-0057
fatcat:hgjtmt5igrg65gz22xksgvfjg4