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Role of N in the Permanent Magnet Material Sm2Fe17Nx

Journal of the Physical Society of Japan

2015年6月23日(火)

Journal of the Physical Society of Japan ( http://journals.jps.jp/doi/10.7566/JPSJ.84.084702 )
Masako Ogura, Ayaka Mashiyama, and Hisazumi Akai

Abstract

The magnetic properties of the permanent magnet material Sm2Fe17Nx are discussed in terms of the change in the electronic structure caused by the insertion of N into the system. The magnetic moments are mainly determined by the Fe-d states: On insertion of N, the d states at Fe near N hybridize with the N-p states and acquire an electronic structure similar to that of Co. As a result, the magnetic moments at these sites decrease. The magnetic moments at other Fe sites increase because of the hybridization with the thus-changed d states of Fe near N. The Sm-f states also hybridize with N; however, these states in the absence of N would have nearly an atomlike electronic structure. This change affects the band energy and causes a large uniaxial magnetocrystalline anisotropy. We also discuss the cases where N is replaced by other typical elements.

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科学研究費補助金(研究課題番号26400330)


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