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Physical review. B./Physical review. B

Thermodynamic signature of SU(4) spin-orbital liquid and symmetry fractionalization from Lieb-Schultz-Mattis theorem

Masahiko G. Yamada, Satoshi Fujimoto

Published May 31, 2022• 6 citations
Publisher

Abstract

The state-of-the-art numerical simulation of the SU(4) Heisenberg model on a honeycomb lattice reveals a characteristic peak-and-shoulder specific heat behavior. The low-temperature peak is associated with a color gap, which suggests the existence of a gapped symmetric ground state in this model.
DOI
10.1103/physrevb.105.l201115

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Thermodynamic signature of the SU(4)\mathrm{SU}(4)SU(4) spin-orbital liquid and symmetry fractionalization from the Lieb-Schultz-Mattis theorem
The SU(4)\mathrm{SU}(4)SU(4) Heisenberg model on the honeycomb lattice is expected to host a quantum spin-orbital liquid at low temperature with an astonishing candidate material, ααα-ZrCl3_33​. We employed the canonical thermal pure quantum state method to investigate the finite-temperature phase of this model. Exploiting the full symmetry of SU(4)\mathrm{SU}(4)SU(4), the calculation up to a 24-site cluster, which is equivalent to 48 sites in the spin-1/2 language, is possible. This state-of-the-art computation with large-scale parallelization enables us to capture the thermodynamic properties of the SU(4)\mathrm{SU}(4)SU(4) Heisenberg model on the honeycomb lattice. In particular, the specific heat shows a characteristic peak-and-shoulder structure, which should be related to the nature of the low-temperature quantum spin-orbital liquid phase. We also discuss what can be concluded from the assumption that the ground state is gapped and symmetric in view of the generalized Lieb-Schultz-Mattis theorem.
We perform large-scale density matrix renormalization group simulations of the SU(4) Heisenberg model on the honeycomb lattice to address the long-standing question of its ground state in an unbiased and quantitatively controlled manner. We find reliable numerical evidence that the ground state is a gapped spin-orbital liquid, presumably with a Z_{4} topological order, characterized by a finite topological entanglement entropy close to ln(4), the absence of both SU(4) and lattice symmetry breaking, and a variationally optimized ground-state energy well below the previously proposed π-flux variational state. By exploiting full SU(4) symmetry and keeping up to 12 800 SU(4) multiplets, corresponding to more than 1×10^{6} U(1) states, we achieve unprecedented accuracy for two-dimensional SU(4) quantum magnets. Finite-size scaling of energies and entanglement entropies supports a robust gapped phase in the two-dimensional limit, while a gapless critical state on narrow cylinders is identified as a proximate remnant of a Dirac spin-orbital liquid. Our results find the SU(4) honeycomb Heisenberg model a realization of a gapped topological spin-orbital liquid and provide convincing numerical evidence for topological order in a highly symmetric two-dimensional quantum magnet.
An emergent SU(4) symmetry discovered in the microscopic model for d1 honeycomb materials [M. G. Yamada, M. Oshikawa, and G. Jackeli, ] has enabled us to tailor exotic SU(4) models in real materials. In the honeycomb structure, the emergent SU(4) Heisenberg model would potentially have a quantum spin-orbital liquid ground state due to the , and we can also expect similar spin-orbital liquids in three-dimensional versions of the honeycomb lattice. In such quantum spin-orbital liquids, both the spin and orbital degrees of freedom become fractionalized and entangled together due to the strong frustrated interactions between them. Similarly to spinons in pure quantum spin liquids, quantum spin-orbital liquids can host not only spinon excitations, but also fermionic excitations at low temperature.
The enhancement of the spin-space symmetry from the usual SU(2)\mathrm{SU}(2)SU(2) to SU(N)\mathrm{SU}(N)SU(N) with N>2N>2N>2 is promising for finding nontrivial quantum spin liquids, but the realization of SU(N)\mathrm{SU}(N)SU(N) spin systems in real materials is still challenging. Although there is a proposal in cold atomic systems, in magnetic materials with a spin-orbital degree of freedom it is difficult to achieve the SU(N)\mathrm{SU}(N)SU(N) symmetry by fine tuning. Here we propose a new mechanism by which the SU(4)\mathrm{SU}(4)SU(4) symmetry emerges in the strong spin-orbit coupling limit. In d1d^1d1 transition metal compounds with edge-sharing anion octahedra, the spin-orbit coupling gives rise to strongly bond-dependent and apparently SU(4)\mathrm{SU}(4)SU(4)-breaking hopping between the Jeff=3/2J_\textrm{eff}=3/2Jeff​=3/2 quartets. However, in the honeycomb structure, a gauge transformation maps the system to an SU(4)\mathrm{SU}(4)SU(4)-symmetric Hubbard model, which means that the system has a hidden symmetry in spite of its large spin-orbit coupling. In the strong repulsion limit at quarter filling, as expected in ααα-ZrCl3,_3,3​, the low-energy effective model is the SU(4)\mathrm{SU}(4)SU(4) Heisenberg model on the honeycomb lattice, which cannot have a trivial gapped ground state and is expected to host a gapless spin-orbital liquid. In such quantum spin-orbital liquids, both the spin and orbital degrees of freedom become fractionalized and correlated together at low temperature due to the strong frustrated interactions between them. Similarly to spinons in pure quantum spin liquids, quantum spin-orbital liquids can host not only spinon excitations, but also fermionic "orbitalon" excitations at low temperature, which we have named here in distinction from orbitons in the symmetry-broken Jahn-Teller phases.
By combining the density matrix renormalization group (DMRG) method with Gutzwiller projected wave functions, we study the SU(4) symmetric spin-orbital model on the honeycomb lattice. We find that the ground states can be well described by a Gutzwiller projected $\ensuremath{\pi}$-flux state with Dirac-type gapless excitations at one quarter filling. Although these Dirac points are gapped by emergent gauge fluxes on finite cylinders, they govern the critical behavior in the thermodynamic limit. By inserting a $\ensuremath{\theta}=\ensuremath{\pi}$ spin flux to twist the boundary condition, we can shift the gapless sector to the ground state, which provides compelling evidence for the presence of a gapless Dirac spin-orbital liquid.
We show that the honeycomb tight-binding model hosts an exact microscopic avatar of its low-energy SU(2) valley symmetry and parity anomaly. Specifically, the SU(2) valley symmetry arises from a collection of conserved, integer-quantized charge operators that obey the Onsager algebra. Along with lattice reflection and time-reversal symmetries, this Onsager symmetry has a Lieb-Schultz-Mattis (LSM) anomaly that matches the parity anomaly in the IR. Indeed, we show that any local Hamiltonian commuting with these symmetries cannot have a trivial unique gapped ground state. We study the phase diagram of the simplest symmetric model and survey various deformations, including Haldane's mass term, which preserves only the Onsager symmetry. Our results place the parity anomaly in 2+1D alongside Schwinger's anomaly in 1+1D and Witten's SU(2) anomaly in 3+1D as 't Hooft anomalies that can arise from the Onsager symmetry on the lattice.