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

1988; American Physical Society; Volume: 38; Issue: 12 Linguagem: Inglês

10.1103/physrevb.38.8131

1095-3795

X. Q. Wang, G. Chiarotti, F. Ercolessi, Erio Tosatti,

Electron and X-Ray Spectroscopy Techniques

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.