Work

First-principles study on enhanced magnetocrystalline anisotropy of Fe2P-type alloys

Year: 2025

Type: article

Abstract: Employing first-principles density functional theory calculations, we investigate the effects of Fe-group substitutional elements of Ru and Os on the structural and intrinsic permanent magnetic properties of Fe2P alloy. Our calculations reveal that the presence of Os substitutional atoms improves uniaxial magnetic anisotropy Ku up to ∼3.3 MJ/m3 in Fe1.92Os0.08P, leading to high anisotropy field μ0Ha of 6.5 T and hardness parameter κ of 2, which are significantly higher than the corresponding values in Fe2P phase. This enhancement is attributed to the interplay of the strong spin–orbit coupled Os 5d states and orbital hybridization between 3d and 5d orbital states. Our computational results suggest the feasibility of enhancement on intrinsic permanent magnetic properties of Fe2P-type structures for rare-earth free permanent magnet applications.

Source: AIP Advances

DOI: 10.1063/9.0000853

Authors: B. Khongorzul, T. Ochirkhuyag, P. Taivansaikhan, Kh. Odbadrakh, D. Odkhuu

Institutions: Mongolian Academy of Sciences, Incheon National University, Institute of Physics and Technology, Oak Ridge National Laboratory

Language: English

Topic: Magnetic Properties of Alloys

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,350

Funders: Incheon National University, Office of Naval Research Global