We describe the applications of first-principles calculations to the analysis of transport and magnetic properties
of rare-earth materials. The first application is a detailed calculation of the spin-disorder resistivity of heavy
rare-earth metals in the Gd-Tm series. The crystallographic anisotropy of the spin-disorder resistivity agrees
well with experiment, but its magnitude is significantly underestimated. Possible origins of this discrepancy are
discussed. In the second part we analyze the exchange interaction in Gd-doped EuO using a magnetostructural
cluster expansion based on the ab initio total energies. The calculated Curie temperature has a broad maximum
extending over 10-20% Gd concentration and reaching approximately 150 K.
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J. K. Glasbrenner ; J. M. An ; J. Kudrnovský ; V. Drchal ; S. Khmelevskyi, et al.
First-principles calculations of transport and magnetic properties of rare-earth materials
", Proc. SPIE 8461, Spintronics V, 84610F (October 1, 2012); doi:10.1117/12.930936; http://dx.doi.org/10.1117/12.930936