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Corrugating and Anticorrugating Static Interactions in Helium-Atom Scattering from Metal Surfaces

2004; American Physical Society; Volume: 92; Issue: 1 Linguagem: Inglês

10.1103/physrevlett.92.013201

1092-0145

N. Jean, M. I. Trioni, G. P. Brivio, V. Bortolani,

Physics of Superconductivity and Magnetism

We perform a density-functional-theory calculation of the static repulsive potential of He scattering off a noble and a simple metal surface. The classical turning point of He on Cu(111) is found to be closer to the metal when the adatom is at top than at bridge site (anticorrugating effect). The potential of He on Al(111) is instead corrugated. By comparing the results of the two systems, we conclude that the He-metal anticorrugating effect occurs when the kinetic energy difference for He at top and bridge sites is larger than the electrostatic one, and an induced localized dipole on He is formed.