Non-Local Corrections to the Electronic Structure of Metal Surfaces.
Abstract
A non-local exchange-correlation term, derived from the static dielectric function of Vashishta and Singwi (VS), is introduced into the density functional for an interacting electron gas. The coefficient is chosen to give the same surface energy for two adjacent jellium metals of nearly equal density as is obtained from the VS dielectric function. This density functional is then used to calculate surface energies and work functions for metal-vacuum interfaces. The results for both surface energies and work functions found in this way are significantly higher than the experimental values. Possible explanations for the discrepancies are discussed.
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 01, 1975
- Accession Number
- ADA010189
Entities
People
- King-hon Lau
- Walter Kohn
Organizations
- University of California, San Diego