First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets.
First-principles determination of intergranular atomic arrangements and magnetic properties in rare-earth permanent magnets.
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DOI：
10.1080/14686996.2021.1877092
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发表时间：
2021-02-12
影响因子：
5.5
通讯作者：
Gohda Y
中科院分区：
文献类型：
--
作者：
Gohda Y
高性能永磁体的发展既依赖于具有优良本征磁性的主相化合物，又依赖于防止磁化反转的微结构效应。本文从主相与晶界相的界面和晶界相本身两个方面讨论了显微组织的影响。首先，考虑了主相颗粒的表面，讨论了表面终止的一般趋势及其起源。其次，讨论了SmFe12基磁体的微结构界面，发现SmCu亚相存在SmFe12晶间的磁解耦合现象。最后讨论了对有限温度磁性的一般认识，重点讨论了磁相关声子对磁的反馈效应，然后解释了Nd-Fe-B磁体中的原子排列和晶间相的磁性。同时考虑了非晶态和候选晶态结构。结果表明，在NdFe合金中添加铜和镓可以有效地降低晶界相的居里温度。
Development of high-performance permanent magnets relies on both the main-phase compound with superior intrinsic magnetic properties and the microstructure effect for the prevention of magnetization reversal. In this article, the microstructure effect is discussed by focusing on the interface between the main phase and an intergranular phase and on the intergranular phase itself. First, surfaces of main-phase grains are considered, where a general trend in the surface termination and its origin are discussed. Next, microstructure interfaces in SmFe12-based magnets are discussed, where magnetic decoupling between SmFe12 grains is found for the SmCu subphase. Finally, general insights into finite-temperature magnetism are discussed with emphasis on the feedback effect from magnetism-dependent phonons on magnetism, which is followed by explanations on atomic arrangements and magnetism of intergranular phases in Nd-Fe-B magnets. Both amorphous and candidate crystalline structures of Nd-Fe alloys are considered. The addition of Cu and Ga to Nd-Fe alloys is demonstrated to be effective in decreasing the Curie temperature of the intergranular phase.
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影响因子：
2.1
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通讯作者：
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