Energy of cohesion in transition metals

Abstract

The energy of cohesion in transition metals is calculated on the basis of Hubbard Hamiltonian with exchange interaction. The Coulomb correlation term is treated in the statistical (0,1) approximation. The calculations are performed in the limits of weak and strong Coulomb correlations in both paramagnetic and ferromagnetic states using the CPA technique. It is shown that the decrease in energy of cohesion near half-filled 3d bands in the first transition series is due to the strong Coulomb correlations resulting in 3d band splitting. Such a decrease is not observed in other transition metal series, where these correlations seem to be smaller in comparison to the bandwidth.