Electrons around a vacancy in simple metals
- 1 January 1977
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 7 (1) , L7-L13
- https://doi.org/10.1088/0305-4608/7/1/002
Abstract
Electron density distributions around a vacancy in simple metals (Na and Al) are calculated by solving the Thomas-Fermi equations throughout the interstitial region. The establishment of the boundary conditions and the basic ideas for such calculations are based on the work of Ratti and Ziman (1974) who have studied the problem of charge transfer in an alloy. A pseudopotential is used to eliminate the core problem and in order to simplify the calculations it is assumed that the electron density within each atomic cell as well as within a vacancy cell has a spherical symmetry. Nevertheless the preliminary calculations are reliable enough to give some semi-quantitative conclusions from a viewpoint differing from that of the jellium model.Keywords
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