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9 October 2012 First-principles calculations of transport and magnetic properties of rare-earth materials
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Proceedings Volume 8461, Spintronics V; 84610F (2012)
Event: SPIE NanoScience + Engineering, 2012, San Diego, California, United States
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.
© (2012) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
J. K. Glasbrenner, J. M. An, J. Kudrnovský, V. Drchal, S. Khmelevskyi, I. Turek, and K. D. Belashchenko "First-principles calculations of transport and magnetic properties of rare-earth materials", Proc. SPIE 8461, Spintronics V, 84610F (9 October 2012);


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