Borderline Magnetism: How Adding $\mathrm{Mg}$ to Paramagnetic $\mathrm{Ce}{\mathrm{Co}}_3$ Makes a 450-K Ferromagnet with Large Magnetic Anisotropy

Journal Article · 19 September 2018 · Physical Review Applied

DOI: https://doi.org/10.1103/PhysRevApplied.10.034038 · OSTI ID:1471925

Pandey, Tribhuwan ^[1]; Parker, David S. ^[1]

---

1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division

A recent experimental study [Phys. Rev. Appl. 9, 024023 (2018)] on paramagnetic CeCo₃ finds that magnesium alloying induces a ferromagnetic transition with intrinsic properties large enough for permanent magnet applications. Here we explain these surprising results via a first-principles study of the electronic structure and magnetism of magnesium-alloyed CeCo₃. We find the origin of this magnesium-induced ferromagnetic transition to be Stoner physics—the substantial increase in the Fermi-level density of states N(E_F) with Mg alloying. Here, our calculations suggest that both Ce and Co atoms are likely to be important for generating large magnetic anisotropy suggesting the viability of Co-3d and Ce-4f interaction for the generation of magnetic anisotropy in magnetic materials. These results offer a route to the discovery of ferromagnetic materials and provide fundamental insight into the magnetic properties of these alloys.

• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Energy Efficiency and Renewable Energy (EERE)
• Grant/Contract Number: AC05-00OR22725
• OSTI ID: 1471925
• Alternate ID(s): OSTI ID: 1471445
• Journal Information: Physical Review Applied, Vol. 10, Issue 3; ISSN 2331-7019
• Publisher: American Physical Society (APS)Copyright Statement
• Country of Publication: United States
• Language: English