Localized vibrational, edges and breathing modes of graphene nanoribbons with topological line defects

摘要: Peculiar vibrational modes of graphene nanoribbons (GNRs) with topological line defects were presented. We find that phonon dispersion relations the defective GNRs are more similar to those perfect armchair-edge GNR than zigzag-edge in spite their zigzag edge. All at Γ point assigned detail by analyzing eigenvectors and presented video. Three types characteristic modes, namely, localized defect sites, edges, breathing observed. Five near sites found be robust against width line-defective GNR. The Raman D’ band just originates from one mode, 1622 cm-1. mode is sensitive symmetry. edge related structural symmetry but not widths. Two asymmetrical only symmetrical. inversely proportional for wide-defect GNRs, square root narrow-defect GNRs. frequencies slightly higher These may useful manipulation thermal conductance implementation single storage.