Self-doping and magnetic ordering induced by extended line defects in graphene

Abstract

Based on first-principles calculations, we reveal that the interactions between extended line defects (ELDs) of type ``585'' (formed by five and eight membered rings) ELDs embedded in graphene can induce ordered magnetism and self-doping of graphene. By reducing the distance between 585 ELDs, a distinct charge transfer is predicted from the center of 585 ELDs to their edges, which induces a Dirac point shift below the Fermi level, resulting in distance- or density-dependent $n$-type doping in the graphene. Relevant to the above finding, we found a distance-dependent spin polarization at the edges of 585 ELDs, attributable to the rigidity of the \ensuremath{\pi} electronic structure. Our finding suggests a promising approach for achieving $n$-type graphene for spintronic devices by creating 585 ELDs.