Understanding the origin of magneto-crystalline anisotropy in pure and Fe/Si substituted SmCo5

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

卷:522

Review

Chouhan, Rajiv K.^1,2  Pathak, A. K.³  Paudyal, D.⁴ 

[1] CNR NANO Ist Nanosci, Ctr S3, I-41125 Modena, Italy

[2] HBNI, Harish Chandra Res Inst, Allahabad 211019, Uttar Pradesh, India

[3] SUNY Buffalo State Buffalo, Dept Phys, Buffalo, NY 14222 USA

[4] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA

关键词: Magnetic anisotropy;    Spin-orbit coupling;   

DOI  :  10.1016/j.jmmm.2020.167549

来源: Elsevier

【 摘 要 】

We report magneto-crystalline anisotropy of pure and Fe/Si substituted SmCo5. The calculations were performed using the advanced density functional theory (DFT) including onsite electron-electron correlation and spin-orbit coupling. Si substitution substantially reduces both the uniaxial magnetic anisotropy and the magnetic moment. Fe substitution with the selective site, on the other hand, enhances the magnetic moment with a limited chemical stability. The magnetic hardness of the SmCo5 is governed by the Sm 4f localized orbital contribution. The 4f density of states (DOS) becomes flat and split with the substitution of Co (2c) with Si/Fe atoms, except with the Fe substitution at 3 g sites. It is also confirmed that Si substitution favors the thermodynamic stability on contrary to the diminished magnetic and anisotropic effects in SmCo5 at either sites.

【 授权许可】

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