Generation of Magnetic Ordering in Graphene via Mo-Doping

The electronic and magnetic properties of Pristine and Mo doped Graphene have been studied using full potential linearized augmented plane wave (FPLAPW) method based on Density Functional Theory (DFT). The exchange and correlation (XC) effects were taken into account by generalized gradient approximation (GGA). The calculated results show that Mo doping creates magnetism in Graphene by extending the energy bands over E-F and opens up a channel for Graphene to be used in real nanoscale device applications. The p-d interaction between 3d states of Mo atom and p-states of neighboring C atoms are responsible for induced magnetism in Graphene. The magnetic ordering created by this way enhances the potential of Graphene for next generation electronic devices, recording media, magnetic sensors, high-temperature superconductors, spin qubits, magnetic inks and spintronic devices.