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A Finite Cluster Approach to the Electron-Hole Pair Damping of the Adsorbate Vibration: CO Adsorbed on Cu(100)

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Details

Original languageEnglish
Pages (from-to)173-181
Number of pages9
JournalStudies in Surface Science and Catalysis
Volume26
Issue numberC
DOIs
Publication statusPublished - 1986
Externally publishedYes
Publication typeA1 Journal article-refereed

Abstract

Abstract: A finite cluster method is applied to describe the energy transfer from the adsorbate vibrations to the electron-hole pair excitations. For CO stretch vibration on Cu(100) surface a value of 0.5 meV is found for the consequent damping (corresponding to the lifetime of 1.3·10 -12 s) in an agreement with a recently measured vibrational line width. The mechanism behind the electron-hole pair excitations is found to be charge oscillations between the molecular 2π * resonance and the substrate, caused by the molecular vibration. Cluster size effects have been found to be negligible.