Electronic structure of vacancies in refractory compounds and its influence on Tc
- 1 January 1980
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 10 (1), 1-7
- https://doi.org/10.1088/0305-4608/10/1/011
Abstract
The electronic structure of a non-metal vacancy in cubic NbC and VN is investigated using the SCF-cluster approximation. Self-consistent charge densities are obtained for the solid with perfect order as well as with a vacancy in an unrelaxed lattice. Partial local densities of states and electron-phonon parameters are evaluated and found to be influenced by the presence of a vacancy even at more distant atoms. The superconducting transition temperature as a function of the vacancy concentration is calculated and agrees well with experimental values.Keywords
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