期刊
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
卷 22, 期 1, 页码 748-757出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/14686996.2021.1947119
关键词
Rare-earth permanent magnets; crystal field theory; first-principles calculations; atomistic spin model; micromagnetic simulations
资金
- ESICMM [JPMXP011 2101004]
The coercivity of rare-earth permanent magnets depends on the size and shape of fine particles and the atomic-scale structures around grain-boundaries play a crucial role in determining their switching fields. A theoretical atomistic spin model based on first-principles calculations is used to describe the finite temperature magnetic properties and evaluate the reduction of switching fields of fine particles. The model predicts that rare-earth ions may exhibit planar magnetic anisotropy at the surfaces of particles, causing a significant reduction in the switching field of fine particles.
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 R 2Fe14B (R= Dy, Ho, Pr, Nd, Sm) and SmFe12. The atomistic spin model approach is also used to describe the local magnetic anisotropy around the surfaces of the fine particles, and predicts that the rare-earth ions may exhibit planar magnetic anisotropy when they are on the crystalline-structure surfaces of the particles. The dynamical simulation of the atomistic spin model and the corresponding micromagnetic simulation show that the planar surface magnetic anisotropy causes a reduction in the switching field of fine particles by approximately 20-30%, which may be relevant to the atomic-scale surface effects found in the experimental studies.
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