Home
For authors
Submission status

Archive
Archive (English)
Current
   Volumes 113-120
   Volumes 93-112
      Volume 112
      Volume 111
      Volume 110
      Volume 109
      Volume 108
      Volume 107
      Volume 106
      Volume 105
      Volume 104
      Volume 103
      Volume 102
      Volume 101
      Volume 100
      Volume 99
      Volume 98
      Volume 97
      Volume 96
      Volume 95
      Volume 94
      Volume 93
Search
VOLUME 108 (2018) | ISSUE 10 | PAGE 713
Cluster magnetism of Ba4NbMn3O12: localized electrons or molecular orbitals?
DOI: 10.1134/S0370274X18220083
Abstract
Recently synthesized Ba4NbMn3O12 belong to cluster magnets - systems with tightly bound groups of magnetic ions, in this case Mn3 trimers. Often such magnetic clusters can be described by molecular orbitals, however strong electron correlations may invalidate this description. To understand the electronic and magnetic state of Ba4NbMn3O12 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 intra-cluster and weaker inter-cluster exchange. The calculated spin of the Mn3 trimer is S=2, in agreement with the experiment. The predicted magnetic structure of Ba4NbMn3O12 is that of ferromagnetic layers of Mn3 trimers, stacked antiferromagnetically.