Image-Screening of Positive Ions at Metal Surfaces, and Electronically Stimulated Desorption of Noble Gas Atoms
Diabatic potential energy curves are reported for ions interacting with metal surfaces. The calculations are based on a local density functional approach, which fully accounts for screening by the electrons within the metal valence band. Results for Ar+ are used to predict yields and energy distributions for Ar atoms which desorb upon ionization of physisorbed Ar. The calculated potentials provide a substantially improved description of the desorption process compared to previous models based on a classical image potential for the ion-surface interaction. Classical and quantal treatments of desorption are compared, and quantum effects in the dynamics of desorption are discussed.
KeywordsPotential Energy Curve Kinetic Energy Distribution Classical Force Neutralization Rate Auger Decay
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