Non-local-density based self-consistent surface calculations. I. Thomas-Fermi lives
- 5 February 1977
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 10 (4) , 567-572
- https://doi.org/10.1088/0022-3719/10/4/013
Abstract
An alternative to a local density formula for incorporating the exchange and correlation potential in surface and interface calculations is suggested and examined. To illustrate its use, a simple extended Thomas-Fermi solution for the surface is derived and shown to incorporate the basic physical features expected. At high metallic densities (rs=2-3) it gives close agreement with the charge density and potential obtained by the local density methods.Keywords
This publication has 19 references indexed in Scilit:
- Exact result for bimetallic interfacesPhysical Review B, 1975
- Harris and Jones image-potential formalism for a quantum particle. Application to surface statesJournal of Physics C: Solid State Physics, 1975
- Surface Potential, Charge Density, and Ionization Potential for Si(111)-a Self-Consistent CalculationPhysical Review Letters, 1974
- Dynamical corrections to the image potentialJournal of Physics C: Solid State Physics, 1973
- Self-Consistent Electronic Structure of Solid SurfacesPhysical Review B, 1972
- Theory of the surface dipole on nontransition metalsJournal of Physics C: Solid State Physics, 1972
- The electron-electron interaction near an interfaceSurface Science, 1971
- Surface potential of a free electron metal in the RPASurface Science, 1968
- Metallic Interfaces. II. Influence of the Exchange-Correlation and Lattice PotentialsPhysical Review B, 1967
- Self-Consistent-Field Model of Bimetallic Interfaces. I. Dipole EffectsPhysical Review B, 1967