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000003491 1001_ $$0P:(DE-Juel1)130881$$aPavarini, E.$$b0$$uFZJ
000003491 245__ $$aMechanism for Orbital Ordering in KCuF3
000003491 260__ $$aCollege Park, Md.$$bAPS$$c2008
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000003491 520__ $$aThe Mott insulating perovskite KCuF3 is considered the archetype of an orbitally ordered system. By using the local-density approximation+dynamical mean-field theory method, we investigate the mechanism for orbital ordering in this material. We show that the purely electronic Kugel-Khomskii superexchange mechanism alone leads to a remarkably large transition temperature of T-KK similar to 350 K. However, orbital order is experimentally believed to persist to at least 800 K. Thus, Jahn-Teller distortions are essential for stabilizing orbital order at such high temperatures.
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000003491 7001_ $$0P:(DE-Juel1)VDB43156$$aKoch, E.$$b1$$uFZJ
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000003491 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevLett.101.266405
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