Miyamoto, Yoshiyuki and Rubio, Angel and Tomanek, David (2006) Real-time Ab initio simulations of excited carrier dynamics in carbon nanotubes. PHYSICAL REVIEW LETTERS, 97 (12): 126104. ISSN 0031-9007, 1079-7114
Full text not available from this repository.Abstract
Combining time-dependent density functional calculations for electrons with molecular dynamics simulations for ions, we investigate the dynamics of excited carriers in a (3,3) carbon nanotube at different temperatures. Following an h nu=6.8 eV photoexcitation, the carrier decay is initially dominated by efficient coupling to electronic degrees of freedom. At room temperature, the excitation gap is reduced to nearly half its initial value after similar to 230 fs, where coupling to ionic motion starts dominating the decay. We show that the onset point and damping rate in the phonon regime change with initial ion velocities, a manifestation of temperature-dependent coupling between electronic and ionic degrees of freedom.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | PSEUDOPOTENTIALS; SYSTEMS; FIELD; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 27 Jan 2021 10:49 |
| Last Modified: | 27 Jan 2021 10:49 |
| URI: | https://pred.uni-regensburg.de/id/eprint/34016 |
Actions (login required)
 |
View Item |
