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Phys. Rev. A 74, 012901 (2006) [11 pages]

Neutralization of H near vicinal metal surfaces

Boyan Obreshkov and Uwe Thumm
James R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, Kansas 66506-2604, USA
Received 3 March 2006; revised 31 May 2006; published 19 July 2006

We calculate the neutralization probability of H ions due to charge transfer in collisions with metal vicinal surfaces. We apply a statistical Thomas-Fermi model with gradient correction to the kinetic energy and a local density approximation for the exchange-correlation energy to compute the ground-state electronic structure of the surface. In comparison with calculations for flat surfaces, we find work-function changes, induced by the vicinal superstructure, in good agreement with published experimental and theoretical data. We evaluate the shift and width of the H affinity level resonance for fixed positions of the ion near the surface. For incident anions with a kinetic energy of 1  keV, the calculated ion-neutralization probabilities depend sensitively on the impact direction, point of closest approach of the trajectory, and the surface morphology. We find that the ion survival is more likely if the H ions approach the step from above, as compared to ions that approach a step from below under otherwise identical scattering conditions. In particular, the electron loss after reflection at a terrace of a monoatomically stepped Al surface is predicted to be resonantly enhanced if the ion approaches a step from below.

©2006 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevA.74.012901
DOI: 10.1103/PhysRevA.74.012901
PACS: 79.20.Rf; 73.22.-f; 34.70.+e; 71.15.Mb
  • 79.20.Rf
    Atomic, molecular, and ion beam impact and interactions with surfaces
  • 73.22.-f
    Electronic structure of nanoscale materials including clusters, nanoparticles, nanotubes, and nanocrystals
  • 34.70.+e
    Charge transfer (atoms and molecules)
  • 71.15.Mb
    Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
  • YEAR: 2006
KEYWORDS: hydrogen ions, aluminium, ion-surface impact, charge exchange, Thomas-Fermi model, density functional theory, electron correlations, surface states, work function, surface morphology

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