# Magnetic structures and magnetic anisotropy of Mn<sub>3−x               </sub>Fe<sub>                  x               </sub>Sn studied by first-principles calculations

https://mdr.nims.go.jp/datasets/079b43bf-79cc-4626-82f9-68ba70dc4f94

## File

- [Mn3-xFexSn原稿.pdf](https://mdr.nims.go.jp/filesets/7ce53846-a040-4e98-8f40-1bafc00bb4bc/download) ([Detail](https://mdr.nims.go.jp/filesets/7ce53846-a040-4e98-8f40-1bafc00bb4bc.md))

## Id

079b43bf-79cc-4626-82f9-68ba70dc4f94

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-08-20T05:58:06.476526Z

## Updated at

2025-02-15T03:31:45.458879Z

## Published at

2025-02-15T03:31:45.553436Z

## Doi

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

## First published url

https://doi.org/10.35848/1347-4065/ad2303

## Date published

2024-02-29

## Recorded date published

2024-2-29

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Magnetic structures and magnetic anisotropy of Mn<sub>3−x               </sub>Fe<sub>                  x               </sub>Sn
    studied by first-principles calculations
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: und

## Creator

- name: Katsunori Tagami
  role: author
- name: Takahisa Ohno
  role: author
  orcid: https://orcid.org/0000-0001-8559-4220
  organization: National Institute for Materials Science
- name: Jun Nara
  role: author
  orcid: https://orcid.org/0000-0002-0486-2981
  organization: National Institute for Materials Science
- name: Mamoru Usami
  role: author

## Contact agent



## Publisher

organization: IOP Publishing

## Managing organization



## Keyword

- subject: Mn3-xFexSn
  schema: not_defined

## Rights

- description: "© 2024 The Japan Society of Applied Physics<br>\r\nThis 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\r\nany version derived from
    it. The Version of Record is available online at https://dx.doi.org/10.35848/1347-4065/ad2303"
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-02-15
end_date: 2025-02-15

## Journal

- title: Japanese Journal of Applied Physics
  issn: '13474065'
  volume: '63'
  issue: '2'
  article_number: '023001'

## Conference



## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 7ce53846-a040-4e98-8f40-1bafc00bb4bc
  filename: Mn3-xFexSn原稿.pdf
  content_type: application/pdf
  size: 769759
  md5: 48b2201b7c8a288823ac963feaf7bb5f

## Thumbnail

fileset_id: 7ce53846-a040-4e98-8f40-1bafc00bb4bc
filename: Mn3-xFexSn原稿.pdf