Isotope effect in acetylene C$_2$H$_2$ and C$_2$D$_2$ rotations on Cu(001)
| Autor: | Shchadilova, Yulia E., Tikhodeev, Sergei G., Paulsson, Magnus, Ueba, Hiromu |
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| Rok vydání: | 2013 |
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| Zdroj: | Phys. Rev. B 89, 165418 (2014) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.89.165418 |
| Popis: | A comprehensive analysis of the elementary processes behind the scanning tunneling microscope controlled rotation of C$_2$H$_2$ and C$_2$D$_2$, isotopologues of a single acetylene molecule adsorbed on the Cu(001) surface is given, with a focus on the isotope effects. With the help of density-functional theory we calculate the vibrational modes of C$_2$H$_2$ and C$_2$D$_2$ on Cu(001) and estimate the anharmonic couplings between them, using a simple strings-on-rods model. The probability of the elementary processes -- non-linear and combination band -- are estimated using the Keldysh diagram technique. This allows us to clarify the main peculiarities and the isotope effects of the C$_2$H$_2$ and C$_2$D$_2$ on Cu(001) rotation, discovered in the pioneering work [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)], which have not been previously understood. Comment: 10 pages, 6 figures. Parts of this submission previously used in the supplementary materials section of arXiv:1307.7550 |
| Databáze: | arXiv |
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