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Ab initio calculation of local magnetic moments and the crystal field in scrR2Fe14B (scrR=Gd, Tb, Dy, Ho, and Er)

K. Hummler and M. Fähnle
Phys. Rev. B 45, 3161(R) – Published 1 February 1992
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Abstract

The local magnetic moments and the valence contribution to the crystal-field parameter A20 at the rare-earth sites are calculated for scrR2Fe14B with scrR=Gd, Tb, Dy, Ho, and Er within the framework of the linear-muffin-tin-orbital theory and the local-spin-density approximation. Thereby, the 4f moments of scrR are calculated by the Russel-Saunders scheme, but the radial 4f spin density was part of the self-consistent density-functional calculation. The local moments as well as A20 averaged over the two crystallographically inequivalent scrR sites remain remarkably constant across the series.

  • Received 25 October 1991

DOI:https://doi.org/10.1103/PhysRevB.45.3161

©1992 American Physical Society

Authors & Affiliations

K. Hummler and M. Fähnle

  • Max-Planck-Institut für Metallforschung, Institut für Physik, Heisenbergstrasse 1, D-7000 Stuttgart 80, Germany

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Issue

Vol. 45, Iss. 6 — 1 February 1992

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