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arXiv:0809.4658 · Physical Review Letters

Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models

George Jackeli, Giniyat Khaliullin

Published Jan 6, 2009• 2,288 citations
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Abstract

We study the magnetic interactions in Mott-Hubbard systems with partially filled t_{2g} levels and with strong spin-orbit coupling. The latter entangles the spin and orbital spaces, and leads to a rich variety of the low energy Hamiltonians that extrapolate from the Heisenberg to a quantum compass model depending on the lattice geometry. This gives way to "engineer" in such Mott insulators an exactly solvable spin model by Kitaev relevant for quantum computation. We, finally, explain "weak" ferromagnetism, with an anomalously large ferromagnetic moment, in Sr2IrO4.

DOI
10.1103/physrevlett.102.017205

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We study the magnetic interactions in Mott-Hubbard systems with partially filled t_{2g} levels and with strong spin-orbit coupling. The latter entangles the spin and orbital spaces, and leads to a rich variety of the low energy Hamiltonians that extrapolate from the Heisenberg to a quantum compass model depending on the lattice geometry. This gives way to "engineer" in such Mott insulators an exactly solvable spin model by Kitaev relevant for quantum computation. We, finally, explain "weak" ferromagnetism, with an anomalously large ferromagnetic moment, in Sr2IrO4.
We study cold atoms in an optical lattice with synthetic spin-orbit coupling in the Mott-insulator regime. We calculate the parameters of the corresponding tight-binding model using Peierls substitution and "localized Wannier states method" and derive the low-energy spin Hamiltonian for bosons and fermions. The spin Hamiltonian is a combination of Heisenberg model, quantum compass model and Dzyaloshinskii-Moriya interactions and it has a rich classical phase diagram with collinear, spiral and vortex phases. We discuss the state of the art of experiments to realize and detect magnetic orderings in strongly correlated optical lattices.
In the search for quantum spin liquids, candidate materials for the Kitaev model and its extensions have been intensively explored during the past decade, as the models realize the exact quantum spin liquids in the ground state. Thus far, insulating magnets in the low-spin d5{d}^{5}d5 electron configuration under the strong spin-orbit coupling have been studied for realizing the Kitaev-type bond-dependent anisotropic interactions between the spin-orbital entangled Kramers doublets. To extend the candidates, here we investigate the systems in a high-spin d7{d}^{7}d7 electron configuration, whose ground state is described by the spin-orbital entangled Kramers doublet. By the second-order perturbation in terms of the ${t}_{2g}\ensuremath{-}{t}_{2g}$ and ${t}_{2g}\ensuremath{-}{e}_{g}$ hoppings, we show that the effective spin model possesses the anisotropic Kitaev interactions as well as the isotropic Heisenberg ones. While the Kitaev interaction is always ferromagnetic, the Heisenberg interaction can become either ferromagnetic or antiferromagnetic depending on the Coulomb interactions and the crystalline electric fields. We also derive the effective model for the low-spin d5{d}^{5}d5 electron configuration within the same perturbation scheme, in which the Kitaev interaction becomes both ferromagnetic and antiferromagnetic, while the Heisenberg one is always ferromagnetic. Referring to the previous study for the Kitaev-Heisenberg model, we find that the quantum spin liquid phase exists in the reasonable parameter region in both d7{d}^{7}d7 and d5{d}^{5}d5 cases, while the former has a richer structure of the phase diagram. We discuss the advantages of the d7{d}^{7}d7 case in comparison with the d5{d}^{5}d5 case. Our results indicate that the high-spin d7{d}^{7}d7 state provides another platform for the Kitaev-type quantum spin liquid.
We study a spin model on honeycomb lattice with two types of Heisenberg exchange couplings, JJJ and J~\tilde JJ~, where JJJ is for the conventional spin and and J~\tilde JJ~ for rotated spin. When J~=0\tilde J=0J~=0, this is the conventional Heisenberg model. When J=0, the system is either in a stripy antiferromagnetic order(J~0\tilde J 0J~0, antiferromagnetic for rotated spin). The competition between two ferromagnetic orders or two antiferromagnetic orders induces Kitaev's spin liquid phase characterized by the exactly solvable Kitaev model (J=J~J=\tilde JJ=J~). Our model can be applied to layered Mott insulators A2_22​IrO3_33​ (A=Li, Na). For a monolayer of Li2_22​IrO3_33​, we show that it is possible to tune the controlling parameter into the Kitaev spin liquid regime by a link-dependent Rashba spin-orbital coupling.
We study the effect of a magnetic field on the low-energy description of Mott insulators with strong spin-orbit (SO) coupling. In contrast to the standard case of the Hubbard model without SO coupling, we show that Peierls phases can modulate the magnetic exchange at leading order in the interaction. Our mechanism crucially depends on the existence of distinct exchange paths between neighboring magnetic ions enclosing a well-defined area. Thus it will generically be present in any solid state realization of the Kitaev model and its extensions. We explicitly calculate the variation of the exchange constants of the so-called $JK\mathrm{\ensuremath{\Gamma}}$ model as a function of the magnetic flux. We discuss experimental implications of our findings for various settings of candidate Kitaev spin liquids.
Compass models are theories of matter in which the couplings between the internal spin (or other relevant field) components are inherently spatially (typically, direction) dependent. Compass-type interactions appear in diverse physical systems including Mott insulators with orbital degrees of freedom (where interactions sensitively depend on the spatial orientation of the orbitals involved), the low energy effective theories of frustrated quantum magnets, systems with strong spin-orbit couplings (such as the iridates), vacancy centers, and cold atomic gases. Kitaev's models, in particular the compass variant on the honeycomb lattice, realize basic notions of topological quantum computing. The fundamental inter-dependence between internal (spin, orbital, or other) and external (i.e., spatial) degrees of freedom which underlies compass models generally leads to very rich behaviors including the frustration of (semi-)classical ordered states on non-frustrated lattices and to enhanced quantum effects prompting, in certain cases, the appearance of zero temperature quantum spin liquids. As a consequence of these frustrations, new types of symmetries and their associated degeneracies may appear. These intermediate symmetries lie midway between the extremes of global symmetries and local gauge symmetries and lead to effective dimensional reductions. We review compass models in a unified manner, paying close attention to exact consequences of these symmetries, and to thermal and quantum fluctuations that stabilize orders via order out of disorder effects. We review non-trivial statistics and the appearance of topological quantum orders in compass systems in which, by virtue of their intermediate symmetry standard orders do not arise. This is complemented by a survey of numerical results. Where appropriate theoretical and experimental results are compared.
The exact solution of Kitaev's spin-1/21/21/2 honeycomb spin-liquid model has sparked an intense search for Mott insulators hosting bond-dependent Kitaev interactions, of which Na2IrO3{\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}Na2​IrO3​ and $\ensuremath{\alpha}\text{\ensuremath{-}}\mathrm{Ru}{\mathrm{Cl}}_{3}$ are prime examples. Subsequently, it has been proposed that also spin-1 and spin-3/23/23/2 analogs of Kitaev interactions may occur in materials with strong spin-orbit coupling. As a minimal model to describe these Kitaev materials, we study the Heisenberg-Kitaev Hamiltonian in a consistent 1/S1/S1/S expansion, with SSS being the spin size. We present a comprehensive study of this model in the presence of an external magnetic field applied along two different directions, [001] and [111], for which an intricate classical phase diagram has been reported. In both settings, we employ spin-wave theory in a number of ordered phases to compute phase boundaries at the next-to-leading order in 1/S1/S1/S and show that quantum corrections substantially modify the classical phase diagram. More broadly, our work presents a consistent route to investigate the leading quantum corrections in spin models that break spin-rotational symmetry.