The nature of the anomalies observed in the helium-atom scattering (HAS) and electron energy-loss (EELS) spectra of hydrogenated W(110) surfaces is investigated by calculating the full dispersion of the Rayleigh mode, using density-functional perturbation theory. We find excellent agreement between our calculations and the upper anomalous branch which is observed with both HAS and EELS. The lower branch-which is only detected by HAS-is instead not predicted. A hitherto unrecognized mechanism possibly responsible for the appearance of the second branch is proposed.

Theory of the anomalous Rayleigh dispersion at H/W(110) surfaces / Bungaro, C.; De Gironcoli, S.; Baroni, S.. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 77:12(1996), pp. 2491-2494. [10.1103/PhysRevLett.77.2491]

Theory of the anomalous Rayleigh dispersion at H/W(110) surfaces

Bungaro, C.;De Gironcoli, S.;Baroni, S.
1996-01-01

Abstract

The nature of the anomalies observed in the helium-atom scattering (HAS) and electron energy-loss (EELS) spectra of hydrogenated W(110) surfaces is investigated by calculating the full dispersion of the Rayleigh mode, using density-functional perturbation theory. We find excellent agreement between our calculations and the upper anomalous branch which is observed with both HAS and EELS. The lower branch-which is only detected by HAS-is instead not predicted. A hitherto unrecognized mechanism possibly responsible for the appearance of the second branch is proposed.
1996
77
12
2491
2494
Bungaro, C.; De Gironcoli, S.; Baroni, S.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/15943
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