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First-principles calculations of magnetic properties for analysis of magnetization processes in rare-earth permanent magnets
- 1.0552126 - FZÚ 2022 RIV NL eng J - Journal Article
Tsuchiura, H. - Yoshioka, T. - Novák, Pavel - Fischbacher, J. - Kovacs, A. - Schrefl, T.
First-principles calculations of magnetic properties for analysis of magnetization processes in rare-earth permanent magnets.
Science and Technology of Advanced Materials. Roč. 22, č. 1 (2021), s. 748-757. ISSN 1468-6996. E-ISSN 1878-5514
R&D Projects: GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : rare-earth permanent magnets * crystal field theory * first-principles calculations * atomistic spin model * micromagnetic simulations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 7.662, year: 2021
Method of publishing: Open access
It has been empirically known that the coercivity of rare-earth permanent magnets depends on the size and shape of fine particles of the main phase in the system. Also, recent experimental observations have suggested that the atomic-scale structures around the grain-boundaries of the fine particles play a crucial role to determine their switching fields. In this article, we review a theoretical attempt to describe the finite temperature magnetic properties and to evaluate the reduction of the switching fields of fine particles of several rare-earth permanent magnetic materials based on an atomistic spin model that is constructed using first-principles calculations. It is shown that, over a wide temperature range, the spin model gives a good description of the magnetization curves of rare-earth intermetallic compounds such as R2Fe14B (R= Dy, Ho, Pr, Nd, Sm) and SmFe12.
Permanent Link: http://hdl.handle.net/11104/0327452
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