Anomalous high-frequency modes of ‘‘missing-row’’ reconstructed (110) surfaces

Abstract
Unexpected high-frequency modes on the Au(110) ‘‘missing-row’’ reconstructed surface have been discovered in a molecular-dynamics study based on many-body interactions. A detailed study of mode polarization and dipole activity shows that the highest mode, around 20 meV, strongly modulates the first- to third-layer spacing, and should be observable in electron-energy-loss spectroscopy (EELS) experiments. A full study of temperature effects, including softening of high- and low-frequency surface modes, is also presented.