Spin Dependent Electronic Transport in Edge Oxidized Zigzag Graphene Nanoribbon

Abstract In this work, we calculated spin dependent electronic transport properties of edge oxidized zigzag graphene nanoribbon (ZGNR). Three types of O-ZGNR structures were considered. In one, the edge states of the graphene nanoribbon were fully oxidized while the partial oxidation of the edge states was considered in the others. Simulation results, using density functional theory (DFT), revealed that the first configuration had no significant spin polarization effect. To the contrary, the other configurations had effect of spin polarization on the transport properties in both parallel and anti-parallel configurations. Total energy for non-magnetic, ferromagnetic and antiferromagnetic state is calculated to predict the ground state of the corresponding configuration. Spin polarization is estimated to assess the application of the considered structures in spintronics.