Band Structure of Cobalt by a Self-Consistent Procedure

Abstract

The band structure of h.c.p. cobalt is calculated self-consistently by using Green’s function method. The calculation gives the density-of-state curve for the paramagnetic state, the Fermi energy for both spin bands, the shape of Fermi surfaces. The exchange splitting energy ΔE is estimated to be 1.71 eV from the density-of-states and the Bohr magneton number, but it is estimated as about 1.1 eV from the other properties, particularly from the photoemission data. This difference is presumably due to uncertainties in the potential which, when corrected, should cause the s-band to be lower in energy by about 0.5 eV.