Mechanism for Orbital Ordering in KCuF3

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Erscheinungsjahr:
2008
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Text
Beschreibung:
  • The Mott insulating perovskite KCuF3 is considered the archetype of an orbitally ordered system. By using the local-density approximation+dynamical mean-field theory method, we investigate the mechanism for orbital ordering in this material. We show that the purely electronic Kugel-Khomskii superexchange mechanism alone leads to a remarkably large transition temperature of TKK∼350  K. However, orbital order is experimentally believed to persist to at least 800 K. Thus, Jahn-Teller distortions are essential for stabilizing orbital order at such high temperatures.
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  • info:eu-repo/semantics/closedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/facba840-47ca-4437-85c6-21804a0e3075