Relationship between orbital structure and lattice distortions: CE phase of manganites, revisited

Details Relationship between orbital structure and lattice distortions: CE phase of manganites, revisited Relationship between orbital structure and lattice distortions: CE phase of manganites, revisited

2010-07-27

arxiv.org/abs/1007.4814v1

Phys. Rev. B 83 (2011) 205123 (9pp)

Physics

Condensed Matter

Strongly Correlated Electrons

9 pages, 10 figures, RevTeX

Scientific paper

10.1103/PhysRevB.83.205123

Analyzing the orbital structure and lattice distortions in the CE phase of half-doped manganites, we demonstrate 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 interactions, kinetic energy of charge carriers, and crystal-field effects. In certain situations, e.g. in the CE phase of single-layered manganite La$_{0.5}$Sr$_{1.5}$MnO$_4$, the type of orbital ordering strongly deviates from that, which one would deduce from the local lattice distortions.

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