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The combination of itinerant transition metal (M=Fe) and localised rare earth (R=Gd-Yb) magnetism in REFe(2) compounds has been investigated in self-consistent energy band calculations. The computed and measured total moments are in good agreement for all cases where single crystal data are available. There is, however, a significant contribution to the moment from the R-5d partial moments coupled anti-parallel to the Fe-3d moment, which results from 3d-5d hybridisation. The R-4f moments interact with the conduction band system solely by local exchange interactions which are calculated ab initio from density functional theory. A sum rule total 3d+5d moment is shown to be obeyed and the effective ferrimagnetic exchange interaction between rare earth and transition metal moments is discussed. Finally, the spin wave spectra of these materials are evaluated in terms of a model arising from these calculations.

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Authors: BROOKS M S S, JRC Karlsruhe (DE);NORDSTRÖM L, University of Uppsala, Institute of Physics, Uppsala (SE);JOHANSSON B, University of Uppsala, Institute of Physics, Uppsala (SE);NORDSTROM L, University of Uppsala, Institute of Physics, Uppsala (SE)
Bibliographic Reference: Paper presented: Electronic Structure in the 1990s, Bad Honnef (DE), July 24-26, 1990
Availability: Available from (1) as Paper EN 35772 ORA
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