Self-Consistent Calculation of Energy Bands in Ferromagnetic Nickel

A self-consistent calculation of energy bands in ferromagnetic nickel has been made using the tight-binding method. Eighty-nine points in 1/48th of the Brillouin zone were used to determine the charge density in the final stages of an iterative procedure. The Kohn-Sham-Gaspar exchange was employed. The approximately self-consistent potential was used to compute energy levels at 505 regularly spaced points in 1/48th of the Brillouin zone plus certain extra points close to the Fermi surface. Results are given for the density of states, the Fermi surface, the charge density, and the spin density. A magneton number of 0.58 was determined.