Abstract
A scheme developed by Pyper to decompose within relativistic Hartree-Fock theory the hyperfine interaction operator into the conventional Fermi contact, spin dipolar and orbital contributions is modified to split the hyperfine field of magnetic solids calculated in a fully relativistic way on the basis of spin-density-functional theory in an analogous way. The resulting expressions are used to examine the hyperfine fields for the disordered alloy systems fcc fcc and fcc making use of the spin-polarized relativistic Korringa-Kohn-Rostoker coherent-potential approximation method of band-structure calculation. In particular the contribution of non- electrons to the hyperfine fields are discussed in detail. Special emphasize is laid on their relationship to the corresponding contributions to the spin and spin-orbit-induced orbital magnetic moments.
- Received 30 January 2001
DOI:https://doi.org/10.1103/PhysRevB.64.094417
©2001 American Physical Society