Figure 5
The local (a) symmetric structure and (b) J-T defect structure around a single vacancy in graphene with corresponding spin-density projections are shown. Local distortions and corresponding C-C distances (in Å) of carbon triangles that surround vacancy centers are highlighted. Spin-polarized electronic band structures of (c) symmetric and (d) J-T defect structures are also illustrated. Majority and minority spins are indicated by blue and red curves, respectively. Band structures of pristine graphene are denoted as black curves for reference. Fermi level (EF), indicated as a dashed line, is set to 0 eV for alignment.
