doi:10.1016/j.nimb.2005.07.185
Copyright © 2005 Elsevier B.V. All rights reserved.
On the effect of image states on resonant neutralization of hydrogen anions near metal surfaces
James R. Macdonald Laboratory, Department of Physics, Kansas State University, Manhattan, KS 66506-2604, USA
Available online 25 August 2005.
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Abstract
We directly assess the role of image state electronic structures on the ion-survival by comparing the resonant charge transfer dynamics of hydrogen anions near Pd(1 1 1), Pd(1 0 0), and Ag(1 1 1) surfaces. Our simulations show that image states that are degenerate with the metal conduction band favor the recapture of electrons by outgoing ions. In sharp contrast, localized image states that occur inside the band gap hinder the recapture process and thus enhance the ion-neutralization probability.
Keywords: Image state; Surface; Charge transfer
PACS: 79.20.Rf; 34.70.+e; 73.20.At
Fig. 1. Schematic of the electronic structure of Ag(1 1 1), Pd(1 1 1) and Pd(1 0 0) surfaces. For free electron motions on the surface plane, dispersions corresponding to the band gaps, the surface states, and the image states are shown. The Fermi energy (EF) for each surface is indicated. The bottoms of the conduction band for Pd(1 1 1) and Pd(1 0 0) are at 2.16 eV and 5.0 eV, respectively.
Fig. 2. Percentage survival probability of 1 keV H− ions scattered from Ag(1 0 0), Ag(1 1 1) and Pd(1 0 0) surfaces as a function of the incident angle (=exit angle) with respect to the surface plane.
Fig. 3.
A(t)
4 as a function of the vertical distance from the turning point for incident 1 keV H− ions. Negative and positive distances are for the incoming and outgoing segment of the trajectory, respectively. The angle of incidence with respect to the surface is 50°. Two distinct interaction regions are indicated.
Fig. 4. Electronic probability (logarithmic scale) for Ag(1 1 1) (upper panel) and Pd(1 1 1) surfaces at a time of 50 a.u. after the projectile has reached the position of closest approach to the surface. The ion approaches the surface at an angle of 50° with respect to the surface and with an energy of 1 keV. The region below the straight line, indicating the surface, is the vacuum region.