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arXiv · 1411.3451

Ab initio Disordered Local Moment Approach for a Doped Rare-Earth Magnet

Munehisa Matsumoto·Rudra Banerjee·Julie B. Staunton
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Abstract

Following the finite-temperature ab initio calculation framework based on the relativistic disordered local moments, we computationally demonstrate the possibility of doping-enhanced coercivity at high-temperatures, taking YCo$_5$ as a working material in order to extract the $3d$-electron part of the electronic structure of the rare-earth permanent magnets. Alkaline-earth dopants are shown to be the candidates to realize the proposed phenomenon.

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Munehisa Matsumoto, Rudra Banerjee, Julie B. Staunton. 2014-11-13. Ab initio Disordered Local Moment Approach for a Doped Rare-Earth Magnet. https://doi.org/10.7566/jpscp.5.011004

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