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.
Jean, N., Trioni, M., Brivio, G., Bortolani, V. (2004). Corrugating and Anticorrugating Static Interactions in Helium-Atom Scattering from Metal Surfaces. PHYSICAL REVIEW LETTERS, 92(1) [10.1103/PhysRevLett.92.013201].
Corrugating and Anticorrugating Static Interactions in Helium-Atom Scattering from Metal Surfaces
BRIVIO, GIANPAOLO;
2004
Abstract
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.
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