Effects of vertical strain on zigzag graphene nanoribbon with a topological line defect

• For a given deformation size, the strain energy increases with increasing vertical distance.
• For a fixed vertical distance, a smaller deformation zone generates larger strain energy.
• A local spin distribution appears in the deformation region.

We report the elastic, electronic and magnetic properties of naked ZGNRs with topological line defects (LD-ZGNRs) lying symmetrically on the ribbon's middle under vertical strains at four types of line defect atoms by using a first-principles approach. By changing the position and size of the local deformation of the ribbon, the optimal position is obtained. Moreover, an apparent spin-splitting of the energy band is obtained when a local deformation is created by the vertically applied strain.

The elastic, electronic and magnetic properties of the zigzag graphene nanoribbon with a topological line defect are investigated under vertical strains using first-principles calculations.Figure optionsDownload as PowerPoint slideFigure optionsDownload as PowerPoint slide