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Strongly correlated crystal-field approach to Mott insulator LaCoO3
Our success in description of recent electron-spin-resonance results on Mott
insulator LaCoO3, Phys. Rev. B 67 (2003) 172401, lies in taking into account
strong electron correlations among d electrons and the relativistic spin-orbit
coupling. In the developed by us Quantum Atomistic Solid State Theory (QUASST)
we assume that the atomic-like integrity of the 3d^6 system is preserved in the
Co^3+ ion in LaCoO3 and that intra-atomic correlations are much stronger than
crystal field interactions. We conclude that in LaCoO3 there is no intermediate
spin state as came out from band-structure calculations. The excited states
originate from the high-spin 5T2g term, being 12 meV above the ground 1A1
state. We are convinced that many-electron CEF approach with strong
correlations and the atomic-scale orbital magnetism is physically adequate
approach to 3d oxides.
Keywords: Mott insulator, crystal field, spin-orbit coupling, LaCoO3Comment: 5 pages, 3 figures in RevTeX
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