Theoretical Correlation of Elemental Distribution of Nd and Pr in Ce-Fe-B Microstructure With Hard Magnetic Properties

Relatively resource-rich but property inferior-Ce-Fe-B magnet can be improved by partial replacement of Ce Nd and/or Pr. In addition to the amount Nd/Pr, their distribution profile in microstructure plays an important role. From our first principles density functional theory (DFT) calculation, substitution energy Pr/Nd is negative 2 Fe xmlns:xlink="http://www.w3.org/1999/xlink">14 B (2:14:1) while that for laves phase, CeFe positive, implying Nd/Pr stabilize 2:14:1 and suppress formation phase. Micromagnetic simulation indicates homogenized improves squareness demagnetization curve, core (Ce-rich)-shell (Nd/Pr-rich) grain structure enhances coercivity. Magnetic properties Ce-Fe-B optimized manipulating chemical element based on subtle difference thermodynamic property, which effective pathway design composition processing route high-performance magnet.