%0 Journal Article
%A Pavarini, E.
%A Koch, E.
%A Lichtenstein, A. I.
%T Mechanism for Orbital Ordering in KCuF3
%J Physical review letters
%V 101
%@ 0031-9007
%C College Park, Md.
%I APS
%M PreJuSER-3491
%P 266405
%D 2008
%Z Record converted from VDB: 12.11.2012
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000262247100057
%R 10.1103/PhysRevLett.101.266405
%U https://juser.fz-juelich.de/record/3491