Abstract
Recent publications by Slater and, particularly, by Hedin and Lundqvist suggest that Hohenberg-Kohn-Sham theory used in conjunction with the local-density approximation and accurate atomic or electron-gas calculations at last make it possible to evaluate the ground-state properties of real solids without appeal to experimental data. Self-consistent Korringa-Kohn-Rostoker calculations of the Fermi surface of copper show that these two local assumptions lead to neck areas about 20% too large. However, a local exchange-correlation potential can be found which gives a copper Fermi surface in excellent agreement with experiment. We suspect that the 20% error in the ab initio methods is due mainly to nonlocal exchange-correlation effects.
Keywords
Fermi gasFermi surfaceElectronic correlationCopperLocal-density approximationCondensed matter physicsPhysicsAb initioFermi Gamma-ray Space TelescopeElectronElectronic structureMaterials scienceQuantum mechanics
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Publication Info
- Year
- 1972
- Type
- article
- Volume
- 6
- Issue
- 12
- Pages
- 4367-4370
- Citations
- 70
- Access
- Closed
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Cite This
J. F. Janak,
A. R. Williams,
V. L. Moruzzi
(1972).
Local Exchange-Correlation Potentials and the Fermi Surface of Copper.
Physical review. B, Solid state
, 6
(12)
, 4367-4370.
https://doi.org/10.1103/physrevb.6.4367
Identifiers
- DOI
- 10.1103/physrevb.6.4367