Superstructure induced by a topological defect in graphitic cones

Abstract

When a pentagon defect is introduced into a graphite sheet, a cone structure is formed. We simulate scanning-tunneling-microscopy (STM) images of the graphitic cone based on density-functional calculations. Simulated STM images show approximately $\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3}$ superstructures consisting of ring patterns which reproduce well the petal-like structure observed in experiments. An analysis using the effective-mass theory shows that the superstructures by the topological defects are qualitatively different from those observed often around defects of flat graphite surfaces.