Figure 3: Band structure of the AFM strucure.
From: Nature of the Insulating Ground State of the Two-Dimensional Sn Atom Lattice on SiC(0001)
The band dispersions obtained using (a) LDA, (b) GGA, and (c) hybrid DFT are plotted along the symmetry lines in the surface Brillouin zone of the unit cell (see the inset in Fig. 2a). In (c), the DOS is also given. The spin-polarized local DOS projected onto the two Sn atoms at the A and B sites within the AFM structure, obtained using hybrid DFT, are given in (d). Here, the charge characters of the spin-up (spin-down) states for the highest occupied and the lowest unoccupied bands are taken at the Γ point with an isosurface of 0.002 (−0.002) e/Å3.
