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005     20240625095039.0
024 7 _ |2 DOI
|a 10.1103/PhysRevLett.101.266405
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041 _ _ |a eng
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|a Physics, Multidisciplinary
100 1 _ |a Pavarini, E.
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245 _ _ |a Mechanism for Orbital Ordering in KCuF3
260 _ _ |a College Park, Md.
|b APS
|c 2008
300 _ _ |a 266405
336 7 _ |a Journal Article
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440 _ 0 |a Physical Review Letters
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|v 101
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a 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 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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700 1 _ |a Koch, E.
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700 1 _ |a Lichtenstein, A. I.
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773 _ _ |a 10.1103/PhysRevLett.101.266405
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856 7 _ |u http://dx.doi.org/10.1103/PhysRevLett.101.266405
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