On the mechanism for orbital-ordering in KCuF3

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dc.creatorPavarini, E.
dc.creatorKoch, E.
dc.creatorLichtenstein, A. I.
dc.date2008-08-26
dc.date.accessioned2026-07-07T12:25:46Z
dc.date.available2026-07-07T12:25:46Z
dc.descriptionThe Mott insulating perovskite KCuF3 is considered the archetype of an orbitally-ordered system. By using the LDA+dynamical mean-field theory (DMFT) method, we investigate the mechanism for orbital-ordering (OO) in this material. We show that the purely electronic Kugel-Khomskii super-exchange mechanism (KK) alone leads to a remarkably large transition temperature of T_KK about 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.
dc.description4 pages, 5 figures
dc.identifierhttps://arxiv.org/abs/0808.3585
dc.identifierhttp://arxiv.org/abs/0808.3585
dc.identifierPhys. Rev. Lett. 101, 266405 (2008)
dc.identifierdoi:10.1103/PhysRevLett.101.266405
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/214674
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleOn the mechanism for orbital-ordering in KCuF3
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