The influence of short-range order on electronic properties of transition metals: I. Crystalline systems

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.