Abstract
We show that the usual approach directly relating the orbital occupation of Jahn-Teller ions to the displacements of neighboring ligands may be misleading. For the correct identification of orbital structure, it is necessary to take self-consistently into account the electron-lattice interaction, kinetic energy of charge carriers, and crystal-field effects. We demonstrate it on the example of the CE phase of the single-layer manganite LaSrMnO, in which the type of orbital ordering strongly deviates from that which one would deduce from the local lattice distortions.
3 More- Received 25 December 2010
DOI:https://doi.org/10.1103/PhysRevB.83.205123
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