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Title: Cluster Magnetism of Ba 4 NbMn 3 O 12 : Localized Electrons or Molecular Orbitals?
Authors: Streltsov, S. V.
Khomskii, D. I.
Issue Date: 2018
Publisher: Pleiades Publishing
Citation: Streltsov S. V. Cluster Magnetism of Ba 4 NbMn 3 O 12 : Localized Electrons or Molecular Orbitals? / S. V. Streltsov, D. I. Khomskii. — DOI 10.1134/S0021364018220071 // JETP Letters. — 2018. — Vol. 108. — Iss. 10. — P. 686-690.
Abstract: Recently synthesized Ba 4 NbMn 3 O 12 belong to cluster magnets that are systems with tightly bound groups of magnetic ions, in this case Mn 3 trimers. Such magnetic clusters can often be described by molecular orbitals, however strong electron correlations may invalidate this description. To understand the electronic and magnetic state of Ba 4 NbMn 3 O 12 we carried out ab initio calculations and show that this system is better described not in molecular orbitals picture, but as a system with electrons localized on the Mn ions, with strong intracluster and weaker inter-cluster exchange. The calculated spin of the Mn 3 trimer is S = 2, in agreement with the experiment. The predicted magnetic structure of Ba 4 NbMn 3 O 12 is that of ferromagnetic layers of Mn 3 trimers, stacked antiferromagnetically. © 2018, Pleiades Publishing, Inc.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85057178392
PURE ID: 9061859
ISSN: 213640
DOI: 10.1134/S0021364018220071
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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