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

V. S. Zhandun, N. V. Kazak, D. M. Vasiukov

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskriftPeer review

Sammanfattning

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.

Originalspråkengelska
Sidor (från-till)294-298
Antal sidor5
TidskriftJETP Letters
Volym119
Nummer4
DOI
StatusPublished - 2024 feb.

Ämnesklassifikation (UKÄ)

  • Den kondenserade materiens fysik

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