Exchange interactions, Jahn-Teller coupling, and multipole orders in pseudospin one-half $5\boldsymbol{d}^\mathbf{2}$ Mott insulators
Abstract
We develop a microscopic theory of multipole interactions and orderings in 5 transition metal ion compounds. In a cubic environment, the ground state of 5 ions is a non-Kramers doublet, which is nonmagnetic but hosts quadrupole and octupole moments. We derive pseudospin one-half Hamiltonians describing various spin-orbital exchange processes between these ions. Direct overlap of the orbitals results in bond-dependent pseudospin interactions similar to those for orbitals in manganites. The superexchange process via oxygen ions generates new types of pairwise interactions. In perovskites with 180 bonding, we find nearly equal mixture of Heisenberg and orbital compass couplings. The 90 superexchange in compounds with edge-shared octahedra is most unusual: despite highly anisotropic shapes of the wavefunctions, the pseudospin interactions have no bond dependence and show instead a hidden SU(2) symmetry, which equally supports quadrupole and octupole orders. We consider the pseudospin models on various lattices and obtain their ground state properties using analytical, classical Monte Carlo, and exact diagonalization methods. On the honeycomb lattice, we observe a duality with the extended Kitaev model, and uncover a critical point where the quadrupole and octupole states are exactly degenerate. On the triangular lattice, an exotic pseudospin state, corresponding to the coherent superposition of vortex-type quadrupole and ferri-type octupole orders, is realized due to geometrical frustration. We also consider Jahn-Teller coupling effects and lattice mediated interactions between pseudospins. Possible implications of the results for recent experiments on double perovskite osmates are discussed, including effects of local distortions on the pseudospin wavefunctions and interactions.
Cite
@article{arxiv.2105.09334,
title = {Exchange interactions, Jahn-Teller coupling, and multipole orders in pseudospin one-half $5\boldsymbol{d}^\mathbf{2}$ Mott insulators},
author = {Giniyat Khaliullin and Derek Churchill and P. Peter Stavropoulos and Hae-Young Kee},
journal= {arXiv preprint arXiv:2105.09334},
year = {2021}
}
Comments
13 pages, 5 figures