English

Spin-orbital order in LaMnO$_3$: $d-p$ model study

Strongly Correlated Electrons 2019-04-04 v1 Materials Science

Abstract

Using the multiband dpd-p model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional MnO3_3 lattice such as realized in LaMnO3_3. The orbital order is induced and stabilized by particular checkerboard pattern of oxygen distortions arising from the Jahn-Teller effect in the presence of strong Coulomb interactions on ege_g orbitals of Mn ions. We show that the spin-orbital order can be modeled using a simple \textit{Ansatz} for local crystal fields alternating between two sublattices on Mn ions, which have non-equivalent neighboring oxygen distortions in abab planes. The simple and computationally very inexpensive dpd-p model reproduces correctly nontrivial spin-orbital order observed in undoped LaMnO3_3. Orbital order is very robust and is reduced by 3\sim 3 \% for large self-doping in the metallic regime.

Keywords

Cite

@article{arxiv.1903.10557,
  title  = {Spin-orbital order in LaMnO$_3$: $d-p$ model study},
  author = {Krzysztof Rościszewski and Andrzej M. Oleś},
  journal= {arXiv preprint arXiv:1903.10557},
  year   = {2019}
}

Comments

10 pages, 2 figures, 3 tables, accepted by Physical Review B

R2 v1 2026-06-23T08:18:44.032Z