Defect symmetry influence on electronic transport of zigzag nanoribbons

Abstract

The electronic transport of zigzag-edged graphene nanoribbon (ZGNR) with local Stone-Wales (SW) defects is systematically investigated by first principles calculations. While both symmetric and asymmetric SW defects give rise to complete electron backscattering region, the well-defined parity of the wave functions in symmetric SW defects configuration is preserved. Its signs are changed for the highest-occupied electronic states, leading to the absence of the first conducting plateau. The wave function of asymmetric SW configuration is very similar to that of the pristine GNR, except for the defective regions. Unexpectedly, calculations predict that the asymmetric SW defects are more favorable to electronic transport than the symmetric defects configuration. These distinct transport behaviors are caused by the different couplings between the conducting subbands influenced by wave function alterations around the charge neutrality point.