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Aiming at clarifying the structures and magnetic anisotropies of kagome Mn3−xFexSn crystal over the wide range of x, we theoretically investigate the x-dependence of lattice parameters and bond lengths of their six magnetic phases by the first-principles calculations, and discuss their stabilities. Under the virtual crystal approximation at the Mn/Fe sites with a composition increment of Δx = 0.25, we find the following points. First, the lattice parameters and intra-plane first-neighbor bond lengths highly depend on the magnetic structures. Second, at x ⩽ 0.25, the in-plane noncollinear antiferromagnetic (AFM) phase is most stable. Third, at x = 0.50, magnetic structures such as the out-of-plane spin canting structure, which are like superpositions of the AFM and ferromagnetic phases, are stable, and the magnetization easy axis is the c-axis. Finally, at x ⩾ 1.00, the in-plane ferromagnetic phase is most stable, indicating that the easy axis is in the ab-plane, and the magnetocrystalline anisotropy energy reaches −1.60 MJ m−3 at x = 3.00.

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  © 2024 The Japan Society of Applied Physics
  
  This is an author-created, un-copyedited version of an article accepted for publication/published in Japanese Journal of Applied Physics. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or
  any version derived from it. The Version of Record is available online at https://dx.doi.org/10.35848/1347-4065/ad2303

Keyword: Mn3-xFexSn

Date published: 2024-02-29

Publisher: IOP Publishing

Journal:

• Japanese Journal of Applied Physics (ISSN: 13474065) vol. 63 issue. 2 023001

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Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.4721

First published URL: https://doi.org/10.35848/1347-4065/ad2303

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Updated at: 2025-02-15 12:31:45 +0900

Published on MDR: 2025-02-15 12:31:45 +0900