Abstract
We report a first-principles evaluation of the exchange-correlation potential (V XC ) at a metal surface. An integral equation relating (V XC ) and the non-local electron self-energy (Σ XC ) is solved numerically for a free-electron metal surface, with use of a static approximation for Σ XC . The strongly-inhomogeneous nature of the electron density profile at the surface is treated exactly, i.e. without invoking the usual local density approximation. Our result for V XC has the correct image-like asymptotic behavior; it derives implicitly from a non-local exchange-correlation energy functional. We study the effect of non-locality on the position of the effective image plane (z O ) from an analysis of the image tail of V XC and also from linear-response theory. The difference in the values of z O obtained by both methods for low metallic densities is attributed to electron overlap effects. We also discuss the effects of V XC on image-potential induced surface states.
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