Top view of calculated BNC structures (top) and contour plots showing difference between up-spin/down-spin charge-density distributions (bottom). (a) Large, (b) medium, and (c) small graphene flake models. White, gray, and black circles represent C, B, and N atoms, respectively. Rectangle in each figure denotes the supercell. In the contour plots, positive values of spin density are indicated by solid lines and negative values by dashed lines. Each contour represents twice or half the density of the adjacent contour lines. The lowest contour represents 4.88 × 10−2e/bohr3.
Ota and Ono Nanoscale Research Letters 2013 8:199 doi:10.1186/1556-276X-8-199