Comparison of Helium Atom Scattering Surface Phonon Dispersion Curves of the (1 × 2) Reconstructed Au(110) Surface with First-Principle Calculations
1989; Institute of Physics; Volume: 10; Issue: 3 Linguagem: Inglês
10.1209/0295-5075/10/3/013
ISSN1286-4854
AutoresA.M. Lahee, J. P. Toennies, Christof Wöll, K.-P. Bohnen, Kai‐Ming Ho,
Tópico(s)Advanced Chemical Physics Studies
ResumoFor the Au(110)-reconstructed surface we present a comparison of surface phonon modes measured with inelastic He-scattering and calculated from first principles. For the point use of bulk force constants does not explain the observed vibrational modes, while the microscopic first principles results give good agreement with the experiment. In contrast to recent results obtained with the semiempirical "glue"-model our microscopic calculations do not support the claim of anomalous high-frequency modes at this surface.
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