English

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 LaMnO3_3 is systematically examined within the LDA+UU approximation of density functional theory. A realistic effective Hamiltonian is derived from novel Wannier functions analysis of the electronic structure. Surprisingly, e-l interaction (0.9\simeq 0.9 eV) alone is found insufficient to stabilize the orbital ordered state. On the other hand, e-e interaction (1.7\simeq 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.

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

R2 v1 2026-07-22T11:22:20.954Z