title: Ab initio study of vibrational dephasing of electronic excitations in semiconducting carbon nanotubes.
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.
authors.affiliation: Department of Chemistry, University of Washington, Seattle, Washington 98195-1700, USA.
authors.forename: Bradley F
authors.initials: BF
authors.lastname: Habenicht
authors.forename: Hideyuki
authors.initials: H
authors.lastname: Kamisaka
authors.forename: Koichi
authors.initials: K
authors.lastname: Yamashita
authors.forename: Oleg V
authors.initials: OV
authors.lastname: Prezhdo
mesh_terms: D000465:Algorithms; D004581:Electronics; D004583:Electrons; D008027:Light; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D036103:Nanotechnology / Q000379:methods*; D037742:Nanotubes, Carbon / Q000737:chemistry*; D010777:Photochemistry / Q000379:methods; D012666:Semiconductors; D013696:Temperature; D013997:Time Factors; D014732:Vibration
chemical_list: D037742:Nanotubes, Carbon