Back to Search
Start Over
Orbital ordering in LaMnO3 : electron-electron versus electron-lattice interactions.
- Source :
-
Physical review letters [Phys Rev Lett] 2006 Mar 24; Vol. 96 (11), pp. 116405. Date of Electronic Publication: 2006 Mar 24. - Publication Year :
- 2006
-
Abstract
- The relative importance of electron-lattice (e-l) and electron-electron (e-e) interactions in ordering orbitals in LaMnO3 is systematically examined within the local-density approximation + Hubbard U approximation of density functional theory. A realistic effective Hamiltonian is derived from novel Wannier state analysis of the electronic structure. Surprisingly, e-l interaction (approximately or = 0.9 eV) alone is found insufficient to stabilize the orbital ordered state. On the other hand, e-e interaction (approximately or = 1.7 eV) not only induces orbital ordering, but also greatly facilitates the Jahn-Teller distortion via enhanced localization. Further experimental means to quantify the competition between these two mechanisms are proposed.
Details
- Language :
- English
- ISSN :
- 0031-9007
- Volume :
- 96
- Issue :
- 11
- Database :
- MEDLINE
- Journal :
- Physical review letters
- Publication Type :
- Academic Journal
- Accession number :
- 16605848
- Full Text :
- https://doi.org/10.1103/PhysRevLett.96.116405