Orbital ordering in LaMnO$_3$: Electron-electron versus electron-lattice interactions
Strongly Correlated Electrons
2009-11-11 v2 Materials Science
Abstract
The relative importance of electron-lattice (e-l) and electron-electron (e-e) interactions in ordering orbitals in LaMnO is systematically examined within the LDA+ approximation of density functional theory. A realistic effective Hamiltonian is derived from novel Wannier functions analysis of the electronic structure. Surprisingly, e-l interaction ( eV) alone is found insufficient to stabilize the orbital ordered state. On the other hand, e-e interaction ( 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.
Keywords
Cite
@article{arxiv.cond-mat/0509075,
title = {Orbital ordering in LaMnO$_3$: Electron-electron versus electron-lattice interactions},
author = {Wei-Guo Yin and Dmitri Volja and Wei Ku},
journal= {arXiv preprint arXiv:cond-mat/0509075},
year = {2009}
}
Comments
RevTex 4, 5 pages, 3 figures. Revision for publication