Thermodynamics and Magnetism of SmFe<sub>12</sub> Compound Doped with Zr, Ce, Co and Ni: An Ab Initio Study

Alloys that are Ni-doped, such as the (Sm<sub>1−y</sub>Zr<sub>y</sub>)(Fe<sub>1−x</sub>Co<sub>x</sub>)<sub>12</sub> and (Ce<sub>0.5</sub>Sm<sub>0.5</sub>)Fe<sub>10</sub>Co<sub>2</sub> systems,...

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Bibliographic Details
Main Authors: Alexander Landa, Per Söderlind, Emily E. Moore, Aurélien Perron
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Metals
Subjects:
Online Access:https://www.mdpi.com/2075-4701/14/1/59
Description
Summary:Alloys that are Ni-doped, such as the (Sm<sub>1−y</sub>Zr<sub>y</sub>)(Fe<sub>1−x</sub>Co<sub>x</sub>)<sub>12</sub> and (Ce<sub>0.5</sub>Sm<sub>0.5</sub>)Fe<sub>10</sub>Co<sub>2</sub> systems, are studied because of their magnetic properties. The (Sm<sub>1−y</sub>Zr<sub>y</sub>)(Fe<sub>1−x</sub>Co<sub>x</sub>)<sub>11−z</sub>Ti<sub>z</sub> and (Ce.<sub>1−x</sub>Sm<sub>x</sub>)Fe<sub>9</sub>Co<sub>2</sub>Ti alloys are considered contenders for vastly effective permanent magnets because of their anisotropy field and Curie temperature. Ti can act as a stabilizer for the SmFe<sub>12</sub> compound but substantially suppresses saturation magnetization. To maintain the saturation magnetization in the scope of 1.3–1.5 T, we propose substituting a particular quantity of Fe and Co in the (Sm<sub>1−y</sub>Zr<sub>y</sub>)(Fe<sub>1−x</sub>Co<sub>x</sub>)<sub>12</sub> and (Ce<sub>0.5</sub>Sm<sub>0.5</sub>)Fe<sub>10</sub>Co<sub>2</sub> alloys with Ni. By performing ab initio calculations, we show that Ni incorporation results in increased thermodynamic stability and, in contrast to Ti, has a parallel spin moment aligned to the moment of the SmFe<sub>12</sub> compound and improves its saturation magnetization without affecting the anisotropy field or Curie temperature.
ISSN:2075-4701