Density functional theory of metal surface properties

✍ Scribed by B. Raykov

• Publisher: John Wiley and Sons
• Year: 1983
• Tongue: English
• Weight: 427 KB
• Volume: 119
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/pssb.2221190150

✦ Synopsis

Abstract

A new functional is proposed for the surface kinetic energy of an electron gas. It is a sum of the kinetic energies of two parts of the space — close to and far from the jellium surface. The decrease of the electron density is approximated by an exponential function. The values of the surface energies and surface dipole barriers thus obtained are close to those of Lang and Kohn. The errors of the method lie between those of the functional of Smith and of the functional of Ma and Sahni. The electron work function of five alkali metals is calculated and very good agreement with the experiment is found.