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Magnetic Structure of Fe5O6: Group-Theoretical Analysis and DFT Calculations
Russian Acad Sci, Kirensky Inst Phys, Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk 660036, Russia; Krasnoyarsk State Med Univ, Krasnoyarsk 660022, Russia.
Russian Acad Sci, Kirensky Inst Phys, Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk 660036, Russia.
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM). Lund Univ, Dept Phys, Div Synchrotron Radiat Res, S-22100 Lund, Sweden.
2024 (English)In: JETP Letters: Journal of Experimental And Theoretical Physics Letters, ISSN 0021-3640, E-ISSN 1090-6487, Vol. 119, no 4, p. 294-298Article in journal (Refereed) Published
Abstract [en]

The magnetic structure of Fe5O6 is studied using a combination of the group-theoretical analysis and DFT + U calculations of the electronic spectrum. The calculations are performed for the magnetic k = (0, 0, 0) vector. The magnetic ground state corresponds to the orthogonal ordering of two magnetic subsystems: the magnetic moments of Fe2+/Fe3+ ions located at the octahedral sites (slabs of octahedra) are directed along the c axis and are antiferromagnetically ordered, whereas the magnetic moments of Fe2+ ions in trigonal prisms forming one-dimensional chains are directed along the b axis and are antiferromagnetically coupled along the c axis. The formation of a nonzero antiferromagnetic component of magnetic moments in the slabs of octahedra directed along the b axis is caused by the effect of magnetic chains on the three-dimensional magnetic structure.

Place, publisher, year, edition, pages
Springer, 2024. Vol. 119, no 4, p. 294-298
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Physical Sciences
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URN: urn:nbn:se:mau:diva-67282DOI: 10.1134/S0021364023604244ISI: 001195387800002Scopus ID: 2-s2.0-85189509109OAI: oai:DiVA.org:mau-67282DiVA, id: diva2:1858971
Available from: 2024-05-20 Created: 2024-05-20 Last updated: 2024-10-22Bibliographically approved

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Vasiukov, D. M.

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