Fig. 6: Calculated electronic band structure.
a–c Diamond and b–d fcc-carbon are compared. The red and green lines in the top and bottom panels show the s- and p- character of the bands along the k-path respectively, the thicker the colored line, the larger the character. The purple arrow indicates the predicted optical band gap with its value reported on the side. The blue shadowed area indicates the filling of the valence band. e Isosurface (0.018 e/Å3) of the fcc-carbon electron density generated by the upper part of the valence band; the shape of the isosurface shows the electron delocalization across the crystal lattice.
