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研究活動

Designing permanent magnets from first-principles

7th ISSP International Workshop and symposium "Emergent Quantum Phases in Condensed Matter(EQPCM)2013"

2013年6月3日(月)

H. Akai(ISSP),M. Ogura ( Osaka Univ. )

Abstract

The attempts to develop new permanent magnets are highly interdisciplinary, the activities ranging from basic physics to actual implementations including metallurgy, synthesis, processing, and so on.
In these efforts the role of electron theory of solid admittedly has not been in particular important so far.
However, since the magnetism itself is a direct reflection of the quantum effects in electrons, we must say that the role of electron theory should be very important in developing permanent magnets.
In this talk, the possibility of designing new permanent magnets on the basis of electron theory of solid will be discussed.
Since the study of permanent magnets definitely aims at their practical use, the theory should be quantitative as well as predictive. In this context the electron theory means the quantum design of materials: designing new materials on the basis of first-principles electronic structure calculation.
As has been well recognized, state-of-the-art first- principles calculation provides rather accurate descriptions of the magnetic structure of crystals. However, this is still far from understanding permanent magnets.
To better describe permanent magnets, quantitative discussion of magnetic anisotropy, coercivity, domain wall properties and its dynamics, and in addition, the finite temperature behaviors of all those quantities are indispensable.
The efforts making coherent quantitative treatment of such properties of materials will be surveyed in the talk.
As examples, the magnetic anisotropy of rare-earth nitride magnet Sm2Fe17Nx and the possible application of an Fe-Cr antiferromagnetic layered structure as exchange bias for permanent magnets will be discussed.


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