Tuning electronic and magnetic properties of zigzag graphene nanoribbons with a Stone–Wales line defect by position and axis tensile strain

Abstract

In this study, the electronic and magnetic properties of zigzag graphene nanoribbons (ZGNR) with a Stone–Wales line defect (SW LD) under axis tensile strain have been investigated by density functional theory. The calculation results reveal that the axis tensile strain and the position of the SW LD significantly affect the electronic and magnetic properties of the ZGNRs. In the unstrained systems, the SW LD is more stable near the edge, and the antiferromagnetic (AFM) semiconductors have indirect band gaps (E_g). With the increasing tensile strain, ε, the E_g values of all the AFM semiconducting systems gradually decrease. Moreover, by shifting the SW LD from the center to the edge or increasing the tensile strain, ε, semiconductor → half-metal → metal transition with antiferromagnetic → ferromagnetic transfer can be achieved for the systems. The diverse and tunable electronic and magnetic properties enlarge the defective ZGNRs potential applications in electronics and spintronics.