English

Spin-orbital model of stoichiometric LaMnO$_3$ with tetragonal distortions

Strongly Correlated Electrons 2018-03-28 v1 Materials Science

Abstract

The model developed for LaMnO3_3 addresses the spin-orbital order by superexchange and Jahn-Teller orbital interactions in the cubic (perovskite) symmetry up to now whereas real crystal structure is strongly deformed. We identify and explain three \textit{a priori} important physical effects arising from tetragonal deformation: (i) the splitting of ege_g orbitals Ez\propto E_z, (ii) the directional renormalization of dpd-p hybridization tpdt_{pd}, and (iii) the directional renormalization of charge excitation energies. Using the example of LaMnO3_3 crystal we evaluate their magnitude. It is found that the major effects of deformation are enhanced amplitude of x2y2x^2-y^2 orbitals induced in the orbital order by Ez300E_z\simeq 300 meV and anisotropic tpd2.0t_{pd}\simeq 2.0 (2.35) eV along the abab (cc) cubic axis, in very good agreement with the Harrison's law. We show that the tetragonal model analyzed within mean field approximation provides a surprisingly consistent picture of the ground state. Excellent agreement with the experimental data is obtained simultaneously for: (i) ege_g orbital mixing angle, (ii)~spin exchange constants, and (iii) the temperatures of spin and orbital phase transition.

Keywords

Cite

@article{arxiv.1801.01419,
  title  = {Spin-orbital model of stoichiometric LaMnO$_3$ with tetragonal distortions},
  author = {Mateusz Snamina and Andrzej M. Oleś},
  journal= {arXiv preprint arXiv:1801.01419},
  year   = {2018}
}

Comments

13 pages, 3 figures; submitted