Decomposition of the relativistic hyperfine interaction operator: Application to the ferromagnetic alloy systems fcc FexNi1x, fcc FexPd1x, and fcc CoxPt1x

M. Battocletti and H. Ebert
Phys. Rev. B 64, 094417 – Published 8 August 2001
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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 FexNi1x, fcc FexPd1x, and fcc CoxPt1x making use of the spin-polarized relativistic Korringa-Kohn-Rostoker coherent-potential approximation method of band-structure calculation. In particular the contribution of non-s 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

Authors & Affiliations

M. Battocletti and H. Ebert

  • Department Chemie-Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München, Germany

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Issue

Vol. 64, Iss. 9 — 1 September 2001

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