ELECTRONIC-STRUCTURE AND MAGNETOOPTICAL PROPERTIES OF CESB AND GD.

Antropov V. P., Liechtenstein A. I., Harmon B. N.

Iowa State Univ Sci & Technol Ames Lab Ames Ia 50010
Max Planck Inst Festkorperforsch D-70506 Stuttgart Germany

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