Antropov V. P., Liechtenstein A. I., Harmon B. N.
Iowa State Univ Sci & Technol Ames Lab Ames Ia 50010
The electronic structure of gadolinium metal and CeSb have been calculated using a density functional method which explicitly includes the Coulomb parameter U for the 4f-electrons. The calculated density of states, total energies, Fermi surface, and magneto-optical properties are in better agreement with experiment than those obtained with the standard local density technique.
Journal of Magnetism and Magnetic Materials, 144 1161-1162, 1995.
Max-Planck Institut für Festkörperforschung; Postfach 80 06 65 D-70506 Stuttgart |