Ab initio study of vibrational dephasing of electronic excitations in semiconducting carbon nanotubes

被引:91
作者
Habenicht, Bradley F.
Karnisaka, Hideyuki
Yamashita, Koichi
Prezhdo, Oleg V. [1 ]
机构
[1] Univ Washington, Dept Chem, Seattle, WA 98195 USA
[2] Univ Tokyo, Dept Chem Syst Engn, Bunkyo Ku, Tokyo 1138656, Japan
关键词
SINGLE-WALL; EXCITON DYNAMICS; FLUORESCENCE; SPECTROSCOPY; TRANSISTORS;
D O I
10.1021/nl0710699
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:3260 / 3265
页数:6
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