Self-Consistent Calculation of Energy Bands in Ferromagnetic Nickel

Abstract

A self-consistent calculation of energy bands in ferromagnetic nickel has been made using the tight-binding method. Eighty-nine points in $\frac{1}{48}\mathrm{th}$ 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 $\frac{1}{48}\mathrm{th}$ 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.