FERMI-SURFACE CHARACTERISTICS OF PALLADIUM

The Fermi surface of palladium is calculated using the linear muffin tin orbitalmethod in the atomic sphere approximation. The calculations demonstrate the need to include relativistic corrections for a good representation of the Fermi surface. Calculations are performed including the f‐band potential parameters and by increasing the number of k points in the Brillouin zone summation. With the view to ascertain which exchange‐correlation potential is appropriate for Fermi surface work calculations are made using a number of exchange‐correlation potentials. The calculations indicate that the Slater Xα exchange with α = 0.75 provides the best agreement with the experimental Fermi surface data. Using this exchange the electron velocities and mass enhancement factor are calculated for the various sheets of the Fermi surface. The results are compared with the experimental data and with available theoretical calculations. Copyright © 1990 WILEY‐VCH Verlag GmbH & Co. KGaA