Interplay between orbital ordering and lattice distortions in and
- 1 September 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 60 (10) , 7309-7313
- https://doi.org/10.1103/physrevb.60.7309
Abstract
We have studied the interplay between orbital ordering, Jahn-Teller and -type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and -type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in and
Keywords
All Related Versions
This publication has 17 references indexed in Scilit:
- Resonant X-Ray Scattering from Orbital Ordering inPhysical Review Letters, 1998
- Neutron-diffraction study of the Jahn-Teller transition in stoichiometricPhysical Review B, 1998
- Octahedral Tilting in Perovskites. I. Geometrical ConsiderationsActa crystallographica Section B, Structural science, crystal engineering and materials, 1997
- Electronic structure and orbital ordering in perovskite-type 3dtransition-metal oxides studied by Hartree-Fock band-structure calculationsPhysical Review B, 1996
- Magnetic Behavior of a Mott-Insulator YVO3Journal of the Physics Society Japan, 1994
- Structural Aspects of the Crystallographic-Magnetic Transition in LaVO3 around 140 KJournal of Solid State Chemistry, 1993
- The Jahn-Teller effect and magnetism: transition metal compoundsSoviet Physics Uspekhi, 1982
- Some structures topologically related to cubic perovskite (E21), ReO3 (D09) and Cu3Au (L12)Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1977
- Neutron-Diffraction Determination of the Antiferromagnetic Structure of KCuPhysical Review B, 1969
- Theory of the Role of Covalence in the Perovskite-Type ManganitesPhysical Review B, 1955