Spatial decomposition of magnetic anisotropy in magnets: Application to doped Fe16N2

Article

关键词: MAGNETOCRYSTALLINE ANISOTROPY;    TEMPERATURE-DEPENDENCE;    ALLOYS;    MOMENT;    METALS;   

DOI  :  10.1103/PhysRevB.102.134429

来源: SCIE

【 摘 要 】

We propose a scheme of decomposition of the total relativistic energy in solids to intra- and interatomic contributions. The method is based on a site variation of such fundamental constant as the speed of light. As a practical illustration of the method, we tested such decomposition in the case of a spin-orbit interaction variation for the decomposition of the magnetic anisotropy energy (MAE) in CoPt. We further studied the alpha-Fe16N2 magnet doped by Bi, Sb, Co, and Pt atoms. It was found that the addition of Pt atoms can enhance the MAE by as much as five times while Bi and Sb substitutions double the total MAE. Using the proposed technique, we demonstrate the spatial distribution of these enhancements. Our studies also suggest that Sb, Pt, and Co substitutions could be synthesized by experiments.

【 授权许可】

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