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Fermi Surface Charactertics of Palladium
Author(s) -
Ahuja R.,
Solanki A. K.,
Auluck S.
Publication year - 1990
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221600216
Subject(s) - fermi surface , brillouin zone , pseudogap , fermi gas , fermi level , physics , fermi gamma ray space telescope , condensed matter physics , electron , atomic physics , quantum mechanics , cuprate , doping
Abstract 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.