Self-consistent calculation of electron-density profiles at strongly charged jellium surfaces
Peter Gies, Rolf R. Gerhardts
Abstract
Peter Gies, Rolf R. Gerhardts
Abstract
We present a self-consistent calculation of the electron distribution at a jellium surface in a strong static electric field, based on the Hohenberg-Kohn-Sham theory in the local-density approximation. For different metallic densities ${r}_{s}$=2,3,4,5 and the wide range of surface-charge densities accessible to experiments in electrolytic cells, we calculate suitable moments characterizing the electron-density profile, and give results for the center of mass and spread of the induced charge density, which are related to static and optical response properties, respectively. Our self-consistent results differ remarkably from previous results based on other methods and from model assumptions previously made in order to explain properties of charged surfaces.
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We present a self-consistent calculation of the electron distribution at a jellium surface in a strong static electric field, based on the Hohenberg-Kohn-Sham theory in the local-density approximation. For different metallic densities ${r}_{s}$=2,3,4,5 and the wide range of surface-charge densities accessible to experiments in electrolytic cells, we calculate suitable moments characterizing the electron-density profile, and give results for the center of mass and spread of the induced charge density, which are related to static and optical response properties, respectively. Our self-consistent results differ remarkably from previous results based on other methods and from model assumptions previously made in order to explain properties of charged surfaces.
Key concepts: Jellium, Charge density, Electron, Electric field, Range (aeronautics), Charge (physics), Physics, Atomic physics