3d-5d band magnetism in rare earth-transition metal intermetallics: total and partial magnetic moments of the RFe₂(R=Gd-Yb) Laves phase compounds

The magnetic moments of the RFe 2 (R=Gd-Yb) Laves phase compounds have been calculated. Agreement with published measured values for single crystals is excellent. The R 4f magnetic moments were obtained from the standard Russell-Saunders scheme but the radial 4f spin density was otherwise part of the self-consistent density functional calculation. The influence of the localized 4f magnetism upon the conduction band magnetism is examined in detail and exchange interactions extracted. The site- and angular-momentum-resolved contributions to the total conduction bands magnetic moments are calculated and shown to obey an approximate sum rule which conserves the total conduction band moment, despite the change of 4f moment, across the series.