Abstract
The combined effect of the ligand crystal field and the exchange interaction on the Cu2+ cation in CuGeO3 is examined. It is shown that, if the magnitude of the exchange interaction exceeds the splitting of the energy levels of the \(d_{x^2 - y^2 } \) and d xy orbitals, then an alternate filling of the d orbitals along a chain (orbital ordering) is possible. This effect creates an antiferromagnetic interaction between Cu2+ pairs in 90° exchange and a doubling of the lattice period. A Jahn-Teller pseudoeffect causes singletization of the ground state of the antiferromagnetic chain of Cu2+ spins.
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Fiz. Tverd. Tela (St. Petersburg) 40, 1686–1692 (September 1998)
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Bayukov, O.A., Petrakovskii, G.A. & Savitskii, A.F. Orbital ordering in CuGeO3 . Phys. Solid State 40, 1534–1539 (1998). https://doi.org/10.1134/1.1130602
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DOI: https://doi.org/10.1134/1.1130602