000003491 001__ 3491 000003491 005__ 20240625095039.0 000003491 0247_ $$2DOI$$a10.1103/PhysRevLett.101.266405 000003491 0247_ $$2WOS$$aWOS:000262247100057 000003491 037__ $$aPreJuSER-3491 000003491 041__ $$aeng 000003491 082__ $$a550 000003491 084__ $$2WoS$$aPhysics, Multidisciplinary 000003491 1001_ $$0P:(DE-Juel1)130881$$aPavarini, E.$$b0$$uFZJ 000003491 245__ $$aMechanism for Orbital Ordering in KCuF3 000003491 260__ $$aCollege Park, Md.$$bAPS$$c2008 000003491 300__ $$a266405 000003491 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article 000003491 3367_ $$2DataCite$$aOutput Types/Journal article 000003491 3367_ $$00$$2EndNote$$aJournal Article 000003491 3367_ $$2BibTeX$$aARTICLE 000003491 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000003491 3367_ $$2DRIVER$$aarticle 000003491 440_0 $$04925$$aPhysical Review Letters$$v101$$x0031-9007$$y26 000003491 500__ $$aRecord converted from VDB: 12.11.2012 000003491 520__ $$aThe Mott insulating perovskite KCuF3 is considered the archetype of an orbitally ordered system. By using the local-density approximation+dynamical mean-field theory method, we investigate the mechanism for orbital ordering in this material. We show that the purely electronic Kugel-Khomskii superexchange mechanism alone leads to a remarkably large transition temperature of T-KK similar to 350 K. However, orbital order is experimentally believed to persist to at least 800 K. Thus, Jahn-Teller distortions are essential for stabilizing orbital order at such high temperatures. 000003491 536__ $$0G:(DE-Juel1)FUEK412$$2G:(DE-HGF)$$aGrundlagen für zukünftige Informationstechnologien$$cP42$$x0 000003491 588__ $$aDataset connected to Web of Science 000003491 650_7 $$2WoSType$$aJ 000003491 7001_ $$0P:(DE-Juel1)VDB43156$$aKoch, E.$$b1$$uFZJ 000003491 7001_ $$0P:(DE-HGF)0$$aLichtenstein, A. I.$$b2 000003491 773__ $$0PERI:(DE-600)1472655-5$$a10.1103/PhysRevLett.101.266405$$gVol. 101, p. 266405$$p266405$$q101<266405$$tPhysical review letters$$v101$$x0031-9007$$y2008 000003491 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevLett.101.266405 000003491 8564_ $$uhttps://juser.fz-juelich.de/record/3491/files/FZJ-3491.pdf$$yOpenAccess$$zPublished final document. 000003491 8564_ $$uhttps://juser.fz-juelich.de/record/3491/files/FZJ-3491.jpg?subformat=icon-1440$$xicon-1440$$yOpenAccess 000003491 8564_ $$uhttps://juser.fz-juelich.de/record/3491/files/FZJ-3491.jpg?subformat=icon-180$$xicon-180$$yOpenAccess 000003491 8564_ $$uhttps://juser.fz-juelich.de/record/3491/files/FZJ-3491.jpg?subformat=icon-640$$xicon-640$$yOpenAccess 000003491 909CO $$ooai:juser.fz-juelich.de:3491$$pdnbdelivery$$popenaire$$pVDB$$pdriver$$popen_access 000003491 9131_ $$0G:(DE-Juel1)FUEK412$$bSchlüsseltechnologien$$kP42$$lGrundlagen für zukünftige Informationstechnologien (FIT)$$vGrundlagen für zukünftige Informationstechnologien$$x0 000003491 9141_ $$aNachtrag$$y2008 000003491 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed 000003491 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess 000003491 915__ $$0LIC:(DE-HGF)APS-112012$$2HGFVOC$$aAmerican Physical Society Transfer of Copyright Agreement 000003491 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$gIAS$$kIAS-1$$lQuanten-Theorie der Materialien$$x1$$zIFF-1 000003491 9201_ $$0I:(DE-Juel1)VDB781$$d31.12.2010$$gIFF$$kIFF-1$$lQuanten-Theorie der Materialien$$x0 000003491 9201_ $$0I:(DE-82)080009_20140620$$gJARA$$kJARA-FIT$$lJülich-Aachen Research Alliance - Fundamentals of Future Information Technology$$x2 000003491 9201_ $$0I:(DE-Juel1)IAS-3-20090406$$gIAS$$kIAS-3$$lTheoretische Nanoelektronik$$x3$$zIFF-3 000003491 9201_ $$0I:(DE-Juel1)VDB783$$d31.12.2010$$gIFF$$kIFF-3$$lTheorie der Strukturbildung$$x4 000003491 970__ $$aVDB:(DE-Juel1)109562 000003491 9801_ $$aFullTexts 000003491 980__ $$aVDB 000003491 980__ $$aConvertedRecord 000003491 980__ $$ajournal 000003491 980__ $$aI:(DE-Juel1)IAS-1-20090406 000003491 980__ $$aI:(DE-Juel1)PGI-1-20110106 000003491 980__ $$aI:(DE-82)080009_20140620 000003491 980__ $$aI:(DE-Juel1)IAS-3-20090406 000003491 980__ $$aI:(DE-Juel1)PGI-2-20110106 000003491 980__ $$aUNRESTRICTED 000003491 980__ $$aFullTexts 000003491 981__ $$aI:(DE-Juel1)PGI-1-20110106 000003491 981__ $$aI:(DE-Juel1)IAS-3-20090406 000003491 981__ $$aI:(DE-Juel1)PGI-2-20110106 000003491 981__ $$aI:(DE-Juel1)VDB881