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arXiv · 1803.06302

Electron-mediated phonon-phonon coupling drives the vibrational relaxation of CO on Cu(100)

Dino Novko·Maite Alducin·Joseba Iñaki Juaristi
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Abstract

We bring forth a consistent theory for the electron-mediated vibrational intermode coupling that clarifies the microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces. Our analysis points out the inability of state-of-the-art nonadiabatic theories to quantitatively reproduce the experimental linewidth of the CO internal stretch mode on Cu(100) and it emphasizes the crucial role of the electron-mediated phonon-phonon coupling in this regard. The results demonstrate a strong electron-mediated coupling between the internal stretch and low-energy CO modes, but also a significant role of surface motion. Our nonadiabatic theory is also able to explain the temperature dependence of the internal stretch phonon linewidth, thus far considered a sign of the direct anharmonic coupling.

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Dino Novko, Maite Alducin, Joseba Iñaki Juaristi. 2018-03-16. Electron-mediated phonon-phonon coupling drives the vibrational relaxation of CO on Cu(100). https://doi.org/10.1103/physrevlett.120.156804

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