Modulation of the magnetic properties in zigzag-edge graphene nanoribbons by connection sites

Abstract

Based on the first-principles method, the magnetic properties for zigzag–edge graphene nanoribbon (ZGNR) junctions are investigated. The results show the system had the ferromagnetic or antiferromagnetic ground state depending on the connection sites between ZGNR electrodes and the central ZGNR. The junction displays a metallic behavior when the central ZGNR is connected at the middle site of electrodes with a ferromagnetic state, but shows obvious spin semiconductor feature when the connection site is shifted to the edge of the ZGNR. For the antiferromagnetic states, all models show a semiconductor behavior, which originates from the spin-degenerate edge states. While for the antiparallel spin configuration, the spin density of the central ribbon is affected by connection sites, and it shows weaker little by little with the central ribbon moving from bottom to the middle site, which is different obviously from ferromagnetic or antiferromagnetic state. When one edge state of the central ZGNR is broken, bipolar spin semiconductor features can be obtained with different band gaps at suitable connection sites.