Mott physics in the2pelectron dioxygenyl magnet O2MF6(M=Sb, Pt)

@article{Kim2011MottPI,
  title={Mott physics in the2pelectron dioxygenyl magnet O2MF6(M=Sb, Pt)},
  author={Minjae Kim and Byung Il Min},
  journal={Physical Review B},
  year={2011},
  volume={84}
}
We have investigated electronic structures and magnetic properties of O$_{2}$$M$F$_{6}$ ($M$=Sb, Pt), which are composed of two building blocks of strongly correlated electrons: O$_{2}^{+}$ dioxygenyls and $M$F$_{6}^{-}$ octahedra, by employing the first-principles electronic structure band method. For O$_{2}$SbF$_{6}$, as a reference system of O$_{2}$PtF$_{6}$, we have shown that the Coulomb correlation of O(2$p$) electrons drives the Mott insulating state. For O$_{2}$PtF$_{6}$, we have… 
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TLDR
This article shows that tetragonal α-BaNaO4 is a stable half-metal with a Curie temperature at 120 K, a first example in this class of compounds and highlights the importance of geometric arrangement of O2 dimers in inducing ferromagnetism and other novel properties in O2Dimer containing compounds.

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