Theoretical identification of Stone-Wales defects in nanotubes

Physical Review B 69, 121413 - 4 (2004)

Theoretical identification of Stone-Wales defects in nanotubes

Y. Miyamoto, A. Rubio, S. Berber, M. Yoon, D. Tománek

We combined resonant photoabsorption and vibration spectroscopy with Scanning Tunneling Microscopy (STM) to unambiguously identify the presence of Stone-Wales (SW) defects in carbon and boron nitride nanotubes. Based on extensive time-dependent {\em ab initio} density functional calculations, we propose to resonantly photoexcite SW defects in the infrared and ultraviolet regime as a means of their identification. Onset of non-radiative decay to a local defect vibration with a frequency of 1962~cm$^{-1}$ serves as a fingerprint of such defects in carbon nanotubes. The bias dependence of the STM images shows distinct features associated with the presence of SW defects.