Calculation of the electronic structure and the magnetic moments of Nd(2)Fe(14)BFunded under: FP2-RADPROT 7C
Electronic structure calculations for the permanent magnet material Nd(2)Fe(14)B are presented. The localised 4f spin magnetisation density is incorporated in the calculational scheme in an appropriate way. The calculated magnetic moments for the different Fe sites are in good agreement with neutron experiments. It is found that the unusually large local Fe magnetic moments for some of the Fe sites are mainly due to the large distances between the Fe atoms in this structure.
Bibliographic Reference: Report: EN (1993) 12 pp.
Availability: Available from European Commission, Institute for Transuranium Elements, Postfach 2340, D-7500 Karlsruhe (DE)
ISBN: ISBN 1 870965 12 4
Record Number: 199410182 / Last updated on: 1994-11-28
Original language: en
Available languages: en