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. 2013 Nov 4;110(47):18809–18813. doi: 10.1073/pnas.1311028110

Fig. 3.

Fig. 3.

(A) Electronic band structures of T6-carbon calculated using DFT-GGA/PBE (red lines) and HSE06 hybrid functional (blue lines), and projected DOS for C1 and C2 atom at DFT-GGA/PBE level. (B) Charge density isosurface (0.05 e/Å3) of the partially occupied band of T6-carbon along the [100] and [001] directions.