Structural, electronic, and magnetic behaviors of 5d transition metal atom substituted divacancy graphene: A first-principles study |
(color online) (a)–(g) Top views of charge density for 5d TM atom-doped DV monolayer graphene 5 × 4 supercell structures. Yellow and cyan isosurfaces (0.001 e/Å3) correspond to electron-rich and electron-depleted zones, respectively. |