Web Release Date: October 19,
Ab Initio Study of Vibrational Dephasing of Electronic Excitations in Semiconducting Carbon Nanotubes
and
Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, and Department of Chemical System Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
Received May 7, 2007
Revised August 1, 2007
Abstract:
Phonon-induced dephasing of electronic transitions in semiconducting single-wall carbon nanotubes (CNT) is investigated by ab initio molecular dynamics. Pure-dephasing is shown to be the source of the photoluminescence linewidths observed experimentally in isolated CNTs at low and room temperatures. In ideal tubes, the dephasing is found to occur by coupling to optical phonons. The dephasing proceeds notably faster in the presence of some defects due to stronger coupling to local modes, suggesting that the defects can be identified in CNTs by broadened optical bands.
Download the full text: PDF | HTML
