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Accession Number:
ADA010189
Title:
Non-Local Corrections to the Electronic Structure of Metal Surfaces.
Corporate Author:
CALIFORNIA UNIV SAN DIEGO LA JOLLA DEPT OF PHYSICS
Report Date:
1975-04-01
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.
Descriptive Note:
Technical rept.,
Supplementary Note:
Sponsored in part by National Science Foundation, Washington, D.C.
Pages:
0022
Contract Number:
N00014-69-A-0200-6026
File Size:
0.00MB
