Ferromagnetic half-metallic materials with wide half-metallic gap,
large magnetic anisotropy energy, and high Curie temperature have
attracted much attention for their potential applications in spintronic
devices. The electronic structure and magnetic properties of 3d, 4d,
and 5d transition-metal-atom-(TM)-doped graphitic germanium carbide
(g-GeC) monolayers have been systematically studied by first-principles
calculations. The g-GeC monolayer doped with TMs has abundant properties
of half-metals, metals, and semiconductors. Among them, the Cr, Mn,
Fe, Co, Mo, and W atom-doped g-GeC monolayer shows half-metallic properties
due to the hybridization of TMs-d and Ge/C-p orbitals, in which the
spin-down channel is semiconducting with wide band gaps, i.e., 2.30,
2.19, 1.22, 1.00, 1.84, and 2.10 eV, respectively. Additionally, the
Mn, Fe, Mo, and W atom-doped g-GeC monolayer shows perpendicular magnetic
anisotropy (PMA), while the Co and Cr atoms show in-plane magnetic
anisotropy. The PMA of W-atom-doped g-GeC monolayer is 3.46 mJ/m2, which is attributed to the magnetic anisotropy contribution
of W-(dz
2, dxz) and W-(dyz, dxz) orbitals coupling matrix elements. These results
indicate that TM-doped g-GeC monolayers have potential applications
in spintronic devices.