J Jung et al 2007 J. Phys.: Condens. Matter 19 266008 doi:10.1088/0953-8984/19/26/266008
Self-consistent density functional calculation of the image potential at a metal surface
J Jung1, J E Alvarellos1, E Chacón2 and P García-González1
Show affiliationsIt is well known that the exchange–correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by −1/4(z−z0), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z0, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.
- PACS
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71.15.Mb Density functional theory, local density approximation, gradient and other corrections
73.20.-r Electron states at surfaces and interfaces
73.30.+y Surface double layers, Schottky barriers, and work functions
- Subjects
- Dates
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Issue 26 (4 July 2007)
Received 2 March 2007, in final form 13 May 2007
Published 15 June 2007
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Self-consistent density functional calculation of the image potential at a metal surface
J Jung et al 2007 J. Phys.: Condens. Matter 19 266008
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