Abstract
Densities of states and electronic parameters related to superconductivity have been calculated for the transition metals Nb and Tc, representing the bulk materials by a finite cluster of atoms. The Schrödinger equation is solved for atomic potentials which have been obtained in a self-consistent band structure calculation. The results show that, in these systems, the electronic structure is determind predominantly by short-range order.
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Zwicknagl, G. The influence of short-range order on electronic properties of transition metals: I. Crystalline systems. Z. Physik B - Condensed Matter 40, 23–29 (1980). https://doi.org/10.1007/BF01295066
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DOI: https://doi.org/10.1007/BF01295066