Engineering the magnetic properties of zigzag graphene nanoribbon by epoxy chains

The magnetic properties of zigzag graphene nanoribbon (ZGNR) oxidized by either two single epoxy or one epoxy pair chains were investigated here. The results show that the epoxy pair chain essentially produces finite spin moment for both the antiferromagnetic (AFM) and the ferromagnetic (FM) coupling between the ribbon edges, while the two single epoxy chains oxidized ZGNR and pure ZGNR show the trivial moment for the AFM coupling. The total spin moment has a weak dependence on the position of single epoxy and epoxy pair chains inside the ZGNR and on the width of ZGNR. In addition, the ZGNR oxidized by one epoxy pair chain transitions from a half metal to a semiconductor via tuning the Fermi level when the chain shifts inwards from the ribbon edge. Our results suggest the potential for designing graphene-based spintronics by introducing epoxy pair chains. (paper)