▎ 摘 要
The geometrical and magnetic properties of C atoms doped graphene-like ZnO (g-ZnO) monolayer supercell with the concentrations of 6.25%, 12.5% 18.75% and 25% has been calculated using the first-principles method. The calculated results indicate that C doped g-ZnO monolayer causes the structural distortion. G-ZnO monolayer with one O atom substituted by one C atom is ferromagnetic (FM) half-metal. When the doped concentration of C is 12.5% 18.75% and 25%, the models present strong FM metal properties. The hybridization between C atoms and neighboring host atoms results in the spin polarization between C(2p)-Zn(4d)-O(2p), which causes strong FM properties.