TY  - JOUR
AU  - Pavarini, E.
AU  - Koch, E.
AU  - Lichtenstein, A. I.
TI  - Mechanism for Orbital Ordering in KCuF3
JO  - Physical review letters
VL  - 101
SN  - 0031-9007
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-3491
SP  - 266405
PY  - 2008
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000262247100057
DO  - DOI:10.1103/PhysRevLett.101.266405
UR  - https://juser.fz-juelich.de/record/3491
ER  -