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Proceedings Paper

First-principles calculations of transport and magnetic properties of rare-earth materials
Author(s): J. K. Glasbrenner; J. M. An; J. Kudrnovský; V. Drchal; S. Khmelevskyi; I. Turek; K. D. Belashchenko
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Paper Abstract

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.

Paper Details

Date Published: 9 October 2012
PDF: 10 pages
Proc. SPIE 8461, Spintronics V, 84610F (9 October 2012); doi: 10.1117/12.930936
Show Author Affiliations
J. K. Glasbrenner, Univ. of Nebraska-Lincoln (United States)
J. M. An, Univ. of Nebraska-Lincoln (United States)
J. Kudrnovský, Institute of Physics of the ASCR, v.v.i. (Czech Republic)
V. Drchal, Institute of Physics of the ASCR, v.v.i. (Czech Republic)
S. Khmelevskyi, Vienna Univ. of Technology (Austria)
I. Turek, Institute of Physics of Materials of the ASCR, v.v.i. (Czech Republic)
K. D. Belashchenko, Univ. of Nebraska-Lincoln (United States)


Published in SPIE Proceedings Vol. 8461:
Spintronics V
Henri-Jean Drouhin; Jean-Eric Wegrowe; Manijeh Razeghi, Editor(s)

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