Spin-orbital order in LaMnO$_3$: $d-p$ model study
Abstract
Using the multiband model and unrestricted Hartree-Fock approximation we investigate the electronic structure and spin-orbital order in three-dimensional MnO lattice such as realized in LaMnO. 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 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 planes. The simple and computationally very inexpensive model reproduces correctly nontrivial spin-orbital order observed in undoped LaMnO. Orbital order is very robust and is reduced by \% for large self-doping in the metallic regime.
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