Structural, electronic, and magnetic behaviors of 5d transition metal atom substituted divacancy graphene: A first-principles study |
(color online) (a)–(b) Top and (e)–(h) side views of spin densities for 5d TM atoms incorporated into a 5 × 4 DV monolayer graphene supercell. Yellow and cyan isosurfaces represent positive and negative spin densities, respectively. The isosurfaces value is 0.0001 e/Å3. |