Rotation of a single acetylene molecule on Cu(001) by tunneling electrons in STM
| Autor: | Shchadilova, Yulia E., Tikhodeev, Sergei G., Paulsson, Magnus, Ueba, Hiromu |
|---|---|
| Rok vydání: | 2013 |
| Předmět: | |
| Zdroj: | Phys. Rev. Lett. 111, 186102 (2013) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevLett.111.186102 |
| Popis: | We study the elementary processes behind one of the pioneering works on STM controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation rate in combination with DFT calculations to obtain realistic parameters we reproduce the experimental rotation rate of an acetylene molecule on a Cu(100) surface as a function of bias voltage and tunneling current. This combined approach allows us to identify the reaction coordinate mode of the acetylene rotation and its anharmonic coupling with the C-H stretch mode. We show that three different elementary processes, the excitation of C-H stretch, the overtone ladder climbing of the hindered rotational mode, and the combination band excitation together explain the rotation of the acetylene molecule on Cu(100). Comment: 5+5 pages, 4+2 figures |
| Databáze: | arXiv |
| Externí odkaz: |
|