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Magnetic Structure of Fe5O6 : Group-Theoretical Analysis and DFT Calculations

Zhandun, V. S. ; Kazak, N. V. and Vasiukov, D. M. LU orcid (2024) In JETP Letters 119(4). p.294-298
Abstract

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... (More)

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.

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; and
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publishing date
type
Contribution to journal
publication status
published
subject
in
JETP Letters
volume
119
issue
4
pages
5 pages
publisher
Springer
external identifiers
  • scopus:85189509109
ISSN
0021-3640
DOI
10.1134/S0021364023604244
language
English
LU publication?
yes
id
80081113-722f-47bf-9da6-5fb80ff93c8d
date added to LUP
2024-04-23 14:43:07
date last changed
2024-04-23 14:44:34
@article{80081113-722f-47bf-9da6-5fb80ff93c8d,
  abstract     = {{<p>The magnetic structure of Fe<sub>5</sub>O<sub>6</sub> 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 Fe<sup>2+</sup>/Fe<sup>3+</sup> ions located at the octahedral sites (slabs of octahedra) are directed along the c axis and are antiferromagnetically ordered, whereas the magnetic moments of Fe<sup>2+</sup> 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.</p>}},
  author       = {{Zhandun, V. S. and Kazak, N. V. and Vasiukov, D. M.}},
  issn         = {{0021-3640}},
  language     = {{eng}},
  number       = {{4}},
  pages        = {{294--298}},
  publisher    = {{Springer}},
  series       = {{JETP Letters}},
  title        = {{Magnetic Structure of Fe<sub>5</sub>O<sub>6</sub> : Group-Theoretical Analysis and DFT Calculations}},
  url          = {{http://dx.doi.org/10.1134/S0021364023604244}},
  doi          = {{10.1134/S0021364023604244}},
  volume       = {{119}},
  year         = {{2024}},
}