Abstract

The full-potential linearized APW (FLAPW) method is employed to find out effects of introducing the self-interaction correction (SIC) on the band structure, the Fermi surface geometry, electron wavefunctions and Compton profiles. Introduction of the SIC lowers and narrows the d bands. As the results, the theoretical Compton profiles are brought into a better agreement with the experimental profiles on one hand, and the area of the Fermi surface neck at the L point becomes too small to explain the dHvA result on the other hand.

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