The influence of a substitutional impurity atom on the ion neutralizat
ion near the (100) surface of a simple cubic substrate is investigated
using the Green's-function method. Ion neutralization is studied with
in the framework of the approximate many-level method. The pure metal
substrate is described by the three-dimensional tight-binding scheme,
and the impurity is described by the Koster-Slater model. The effects
of the impurity site, orbital energy, and impact site on ion neutraliz
ation are discussed in detail. Calculations show that the ion occupanc
y depends strongly on the impact site, and the impurity can play a pot
entially dominant role in surface-ion neutralization.