The core structure and pseudo-magnetic field of the dislocation in graphene
Institute for Structure and Function and Department of Physics, Chongqing University - Chongqing 400030, China
Received: 23 April 2013
Accepted: 15 October 2013
An analytical theory is presented for the dislocation (pentagon-heptagon pair) in graphene. In order to fully determine the nonlinear interaction which is responsible for the appearance of dislocation, a γ-potential is proposed and calculated from the electron-density functional theory. The improved dislocation equation, which takes into account the change in space between the mismatched chains, is solved by the variational principle. The strain and stress, in particular the change in the bond length and bond angle at the dislocation core, are obtained explicitly and verified by the first-principle calculation. The pseudo-magnetic field felt by electrons at the band edge is investigated including contribution from topology as well as deformation.
PACS: 61.72.Bb – Theories and models of crystal defects / 61.48.Gh – Structure of graphene / 73.22.Pr – Electronic structure of graphene
© EPLA, 2013