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First-principles calculation of crystal field parameters of Dy ions substituted for Nd in Nd-Fe-B magnets

Journal of Physics: Conference Series (2011) 266(1)
DOI: 10.1088/1742-6596/266/1/012045
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Abstract

We study the electronic structures of crystalline Nd2Fe 14B, Dy2Fe14B and Dy-doped Nd-Fe-B, and estimate the crystal field parameter A02r2 of the rare earth ions of these systems based on the first principles calculations. We find that the crystal field of the Dy ions is appreciably insensitive to its crystallographic location than that of Nd ions. © Published under licence by IOP Publishing Ltd.

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Tanaka, S., Moriya, H., Tsuchiura, H., Sakuma, A., Diviš, M., & Novák, P. (2011). First-principles calculation of crystal field parameters of Dy ions substituted for Nd in Nd-Fe-B magnets. In Journal of Physics: Conference Series (Vol. 266). Institute of Physics Publishing. https://doi.org/10.1088/1742-6596/266/1/012045

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