Dielectric continuum theory of the electronic structure of interfaces
- 15 May 1976
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 13 (10) , 4477-4489
- https://doi.org/10.1103/physrevb.13.4477
Abstract
General expressions for the density-density and potential-potential response functions, ground-state (i.e., surface) energy, and one-electron optical potential are derived for a model of planar interfaces between two media, each of which is described by a local frequency-dependent dielectric function. These expressions are utilized to evaluate the surface energies characteristic of interfaces between semiconductors (insulators) described by the uniform dielectic function metals described by , and the vacuum . Plasmon damping (i.e., nonzero ) is shown to limit the range of nonlocality of the one-electron optical potential to and to decrease the surface energy. The surface energy of semiconductor interfaces is found to diminish monotonically with increases in the band-gap parameter . The conventional expressions for the surface energy of metals as a function of their density, , are recovered in the limit, although errors in some previous derivations of these expressions are displayed. Finally, the structure and limitations of local models of surface properties are examined critically, and the well-known hydrodynamic and step-density random-phase-approximation models of metal-vacuum interfaces are shown to be elementary consequences of classical electrostatics in the limit that .
Keywords
This publication has 45 references indexed in Scilit:
- The exchange and correlation energy at a metal surfaceSolid State Communications, 1975
- Normal modes and the RPA correlation energy of a metallic filmJournal of Physics F: Metal Physics, 1974
- The surface energy of a bounded electron gasJournal of Physics F: Metal Physics, 1974
- Contribution of collective excitations to the surface energy of metalsSolid State Communications, 1974
- Theory of the plasmon contribution to the surface energy of metalsSolid State Communications, 1973
- On the collective contribution to the surface energy of simple metalsSolid State Communications, 1973
- On the plasmon contribution to the surface energy of metalsSolid State Communications, 1973
- On the plasmon-theory of the surface energy of metalsPhysics Letters A, 1973
- Plasmon theory of the surface energy of metals — ISolid State Communications, 1972
- Dynamic Contributions to the Surface Energy of Simple MetalsPhysical Review B, 1972