Literature DB >> 21694077

Self-consistent density functional calculation of the image potential at a metal surface.

J Jung1, J E Alvarellos, E Chacón, P García-González.   

Abstract

It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z(0)), 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, z(0), 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.

Entities:  

Year:  2007        PMID: 21694077     DOI: 10.1088/0953-8984/19/26/266008

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  1 in total

1.  Highly excited electronic image states of metallic nanorings.

Authors:  Christian Fey; Henrik Jabusch; Johannes Knörzer; Peter Schmelcher
Journal:  J Chem Phys       Date:  2017-05-21       Impact factor: 3.488

  1 in total

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