The model potential for Zn and Cd
- 1 July 1976
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 6 (7), 1269-1279
- https://doi.org/10.1088/0305-4608/6/7/009
Abstract
In the framework of the theory of the model potential of the Heine-Abarenkov (HA) type (1964), a suitable parametrization is presented of the energy dependence of the component of the model potential in such a way as to reproduce the experimental resistivity and thermoelectric power of the liquid state. In passing from Zn to Cd a more repulsive d component of the model potential was obtained; this is in agreement with the increasing hybridization of the d band with the s-p conduction band. Calculating the structure dependent part of the total energy the authors are able to reproduce the stable HCP structure of these metals and to explain their very high value of the c/a ratio.Keywords
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