Abstract

We have investigated vibrational properties of the Si(001)/Sb(2×1) surface by applying the adiabatic bond-charge model using the recently determined relaxed atomic geometry. We compare the phonon spectrum of this surface in detail with that of the Si(001)(2×1) surface presented in a recent bond-charge model study. We observe that the surface acoustic phonon modes are mainly localized on the adsorbate layer atoms due to the large mass difference between Sb and Si atoms. Adsorption of Sb is shown to result in two new peaks in the phonon density of states; one below the bulk continuum, and the other near the boundary between bulk acoustic and optical states.

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