This title appears in the Scientific Report :
2008
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevLett.101.266405 in citations.
Mechanism for Orbital Ordering in KCuF3
Mechanism for Orbital Ordering in KCuF3
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 superexc...
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Personal Name(s): | Pavarini, E. |
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Koch, E. / Lichtenstein, A. I. | |
Contributing Institute: |
Theoretische Nanoelektronik; IAS-3 JARA-FIT; JARA-FIT Quanten-Theorie der Materialien; IFF-1 Quanten-Theorie der Materialien; IAS-1 Theorie der Strukturbildung; IFF-3 |
Published in: | Physical review letters, 101 (2008) S. 266405 |
Imprint: |
College Park, Md.
APS
2008
|
Physical Description: |
266405 |
DOI: |
10.1103/PhysRevLett.101.266405 |
Document Type: |
Journal Article |
Research Program: |
Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Physical Review Letters
101 |
Subject (ZB): | |
Link: |
Get full text OpenAccess |
Publikationsportal JuSER |
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. |