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| - Effect of Metal−Ligand Bond Lengths on Superexchange Interactions inJahn−Teller d4 Ion Systems: Spin Dimer Analysis of the MagneticStructure of Marokite CaMn2O4
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| - Marokite CaMn2O4 undergoes a 3D antiferromagnetic ordering at a high temperature and exhibits no spin frustration, contrary to the predictions of Goodenough rules. Our spin dimer analysis describes the observed magnetic structure of CaMn2O4 correctly and reveals that the signs and strengths of the Mn−O−Mn superexchange interactions of CaMn2O4 are determined mainly by the asymmetry and the Mn−O lengths of the Mn−O−Mn bridge.
- In marokite CaMn2O4, all six Mn−O bonds of each MnO6 octahedron are different because of the Jahn−Tellerdistortion so that every Mn3+ (d4) ion has six different superexchange interactions with its neighboring Mn3+ ions.The spin exchange interactions of CaMn2O4 were examined on the basis of spin dimer analysis to find whatgeometrical parameters of the Mn−O−Mn superexchange paths control the signs and strengths of their spin exchangeinteractions. Our work correctly describes the magnetic structure of CaMn2O4 observed from neutron powder diffractionmeasurements and shows that the antiferromagnetic interactions of the Mn−O−Mn paths depend primarily on theasymmetry and the Mn−O bond length of the Mn−O−Mn bridge, but not on the ∠Mn−O−Mn bond angle.
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