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Description:

A spin space group provides a suitable way to fully exploit the symmetry of a spin arrangement with a negligible spin-orbit coupling. There has been a growing interest in applying spin symmetry analysis with the spin space group in the field of magnetism. However, there is no established algorithm to search for spin symmetry operations of the spin space group. This paper presents an exhaustive algorithm for determining spin symmetry operations of commensurate spin arrangements. The present algorithm searches for spin symmetry operations from the symmetry operations of a corresponding nonmagnetic crystal structure and determines their spin-rotation parts by solving a Procrustes problem. An implementation is distributed under a permissive free software license in spinspg v0.1.1:

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: Spin symmetry operation

Date published: 2024-01-01

Publisher: International Union of Crystallography (IUCr)

Journal:

• Acta Crystallographica Section A Foundations and Advances (ISSN: 20532733) vol. 80 issue. 1 p. 94-103

Funding:

• Japan Society for the Promotion of Science 21J10712

Manuscript type: Author's version (Submitted manuscript)

MDR DOI:

First published URL: https://doi.org/10.1107/s2053273323009257

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Updated at: 2024-08-29 16:30:23 +0900

Published on MDR: 2024-08-29 16:30:23 +0900