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• W2056047682 abstract "A group-theoretical method for investigating the transformation properties of the orbital ordering in crystals is outlined and applied to the case of ${E}_{g}$ ions with octahedral coordination. On the basis of assumptions equivalent to the concept of the soft mode, all symmetry-allowed configurations are found and characterized by irreducible representations of the space group relevant to the disordered phase. Depending on the wave vectors associated with the representations, the configurations preserve or expand the unit cell or represent a noncommensurate ordering. The representation analysis itself determines only the correlations between the orbital states of Jahn-Teller ions. The orbital state in the reference position is not specified and should be chosen with consideration of the elastic interactions. The symmetry of this local state and the interatomic correlations determine the space group of the ordered phase and, in particular, the type of crystal deformation which stabilizes this phase." @default.
• W2056047682 created "2016-06-24" @default.
• W2056047682 creator A5036630166 @default.
• W2056047682 date "1987-04-15" @default.
• W2056047682 modified "2023-09-27" @default.
• W2056047682 title "Representation analysis of cooperative Jahn-Teller ordering" @default.
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• W2056047682 doi "https://doi.org/10.1103/physrevb.35.5437" @default.
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