English

Spin--orbital interaction for face-sharing octahedra: Realization of a highly symmetric SU(4) model

Strongly Correlated Electrons 2015-04-28 v2

Abstract

Specific features of orbital and spin structure of transition metal compounds in the case of the face-sharing MO6_6 octahedra are analyzed. In this geometry, we consider the form of the spin--orbital Hamiltonian for transition metal ions with double (egσe_g^{\sigma}) or triple (t2gt_{2g}) orbital degeneracy. Trigonal distortions typical of the structures with face-sharing octahedra lead to splitting of t2gt_{2g} orbitals into an a1ga_{1g} singlet and egπe_g^{\pi} doublet. For both doublets (egσe_g^{\sigma} and egπe_g^{\pi}), in the case of one electron or hole per site, we arrive at a symmetric model with the orbital and spin interaction of the Heisenberg type and the Hamiltonian of unexpectedly high symmetry: SU(4). Thus, many real materials with this geometry can serve as a testing ground for checking the prediction of this interesting theoretical model. We also compare general trends in spin--orbital ("Kugel--Khomskii") exchange interaction for three typical situations: those of MO6_6 octahedra with common corner, common edge, and the present case of common face, which has not been considered yet.

Keywords

Cite

@article{arxiv.1411.3605,
  title  = {Spin--orbital interaction for face-sharing octahedra: Realization of a highly symmetric SU(4) model},
  author = {K. I. Kugel and D. I. Khomskii and A. O. Sboychakov and S. V. Streltsov},
  journal= {arXiv preprint arXiv:1411.3605},
  year   = {2015}
}

Comments

10 pages, 5 figures, RevTeX, in version 2, we took into account the remarks of Referees