Density-functional calculation of the static electronic polarizability of a small metal sphere
- 15 November 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 28 (10) , 5702-5710
- https://doi.org/10.1103/physrevb.28.5702
Abstract
The response of a small metal sphere to a uniform electrostatic field is calculated within density-functional theory. The gradient-expansion approximation is used for the kinetic-energy functional, while exchange and correlation are treated in the local-density approximation. A jellium model is assumed and the electron density is determined by a variational method. Calculations were performed for spheres containing between 5 and 8000 electrons. The applied field was found to induce a substantial amount of charge outside the sphere. This causes the electronic polarizability to be larger than the classical value , where is the radius of the sphere. Our calculations give , where plays the role of an effective radius, and is approximately 2.0 a.u. for the electron-radius parameter and is approximately 1.0 a.u. for . Our calculated values of are nearly independent of . As approaches infinity, approaches the image-plane distance for the problem of a flat surface. It is shown that there is a force sum rule that is not well satisfied by previous calculations, and is approximately satisfied by most of our calculations.
Keywords
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