Fig. 3
From: Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems
a The spin-dependent band structure and the total density of states of BC1@gh-C3N4. b The charge densities of the two bands crossing the Fermi level. c The orbital-resolved electron density of states projected onto B atom, N1 atom, and N2 atom (indexed in b) for BC1@gh-C3N4. d–f are the same with a–c but for BC2@gh-C3N4. The energy at the Fermi level is set to zero