[Zurück]

J. Glasbrenner, J. An, J. Kudrnovsky, V. Drchal, S. Khmelevskyi, I. Turek, K. Belashchenko:
"First-principles calculations of transport and magnetic properties of rare-earth materials";
in: "SPIE 8461, Book Series Spintronics V, 84610F-1, Spintronics V, edited by Henri-Jean Drouhin, Jean-Eric Wegrowe, Manijeh Razeghi", Spintronics, 2012, ISBN: 9780819491787, S. 1 - 10.

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.