Image potential matched self-consistently to an effective potential for simple-metal surfaces

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Abstract
Using density-functional theory, the one-electron effective potential is matched self-consistently to the image-potential shape outside the surface of semi-infinite jellium and of real, simple metals. For real metals, the discrete-lattice effects are taken into account, following the variational method of Monnier and Perdew. The image-plane position of semi-infinite jellium, of Al(111), and of the (110) face of Li, Na, K, Rb, and Cs is determined. We find that for a given surface, the incorporation of the discrete lattice influences the location of the image plane much more strongly than the nonlocal effects.