Ab Initio Investigation of Nonlinear Mode Coupling in C60
| Autor: | Antonia Karamatskou, Oriol Vendrell, Robin Santra |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Field (physics)
Chemistry Infrared Ab initio Context (language use) 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Hot band Two-dimensional infrared spectroscopy 0103 physical sciences Mode coupling General Materials Science Physical and Theoretical Chemistry Atomic physics 010306 general physics 0210 nano-technology Excitation |
| Zdroj: | Karamatskou, A, Santra, R & Vendrell, O 2017, ' Ab Initio Investigation of Nonlinear Mode Coupling in C 60 ', The Journal of Physical Chemistry Letters, vol. 8, no. 22, pp. 5543–5547 . https://doi.org/10.1021/acs.jpclett.7b02573 |
| ISSN: | 1948-7185 |
| DOI: | 10.1021/acs.jpclett.7b02573 |
| Popis: | Strong light fields may be used to control molecular structure, thus providing a route to new, light-induced phases of matter. In this context, we present an ab initio molecular dynamics investigation of nonlinear mode coupling in C60 and show that, under suitable conditions, resonant infrared excitation induces significant structural changes in the system. Surprisingly, exciting the highest-frequency infrared mode at field strengths employed in a recent experiment [Nature 2016, 530, 461–464], we observe no significant structural change. However, when targeting the first two infrared modes using stronger fields, all Raman modes gain energy through nonlinear coupling to the infrared modes, leading to large-amplitude vibrational excitations. We find a strong response of the Hg(5) mode, which is symmetric with respect to the equilibrium structure. For sufficiently strong field, it is of the same order as the infrared modes’ excitation. This encourages further investigations into the light-induced superconduc... |
| Databáze: | OpenAIRE |
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