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arXiv:2311.09823 · Physical review. B./Physical review. B

Spin-phonon interactions on the kagome lattice: Dirac spin liquid versus valence-bond solids

Francesco Ferrari, Federico Becca, Roser Valentí

Published Apr 17, 2024• 8 citations
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Abstract

We investigate the impact of spin-phonon coupling on the $S=1/2$ Heisenberg model on the kagome lattice. For the pure spin model, there is increasing evidence that the low-energy properties can be correctly described by a Dirac spin liquid, in which spinons with a conical dispersion are coupled to emergent gauge fields. Within this scenario, the ground-state wave function is well approximated by a Gutzwiller-projected fermionic state [Ran, Hermele, Lee, and Wen, Phys. Rev. Lett. 98, 117205 (2007)]. However, the existence of $U(1)$ gauge fields may naturally lead to instabilities when small perturbations are included. Phonons are ubiquitous in real materials and may play a relevant role in the determination of the actual physical properties of the kagome antiferromagnet. Therefore, we perform a step forward in this direction, including phonon degrees of freedom (at the quantum level) and applying a variational approach based upon Gutzwiller-projected fermionic Ans\"atze. Our results suggest that the Dirac spin liquid is stable for small spin-phonon couplings, while valence-bond solids are obtained at large couplings. Even though different distortions can be induced by the spin-phonon interaction, the general aspect is that the energy is lowered by maximizing the density of perfect hexagons in the dimerization pattern.

DOI
10.1103/physrevb.109.165133

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We investigate the impact of spin-phonon coupling on the S=1/2S=1/2S=1/2 Heisenberg model on the kagome lattice. For the pure spin model, there is increasing evidence that the low-energy properties can be correctly described by a Dirac spin liquid, in which spinons with a conical dispersion are coupled to emergent gauge fields. Within this scenario, the ground-state wave function is well approximated by a Gutzwiller-projected fermionic state [Ran, Hermele, Lee, and Wen, Phys. Rev. Lett. 98, 117205 (2007)]. However, the existence of U(1)U(1)U(1) gauge fields may naturally lead to instabilities when small perturbations are included. Phonons are ubiquitous in real materials and may play a relevant role in the determination of the actual physical properties of the kagome antiferromagnet. Therefore, we perform a step forward in this direction, including phonon degrees of freedom (at the quantum level) and applying a variational approach based upon Gutzwiller-projected fermionic Ans"atze. Our results suggest that the Dirac spin liquid is stable for small spin-phonon couplings, while valence-bond solids are obtained at large couplings. Even though different distortions can be induced by the spin-phonon interaction, the general aspect is that the energy is lowered by maximizing the density of perfect hexagons in the dimerization pattern.
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Motivated by recent density-matrix renormalization group (DMRG) calculations [Yan, Huse, and White, Science 332, 1173 (2011)], which claimed that the ground state of the nearest-neighbor spin-1/21/21/2 Heisenberg antiferromagnet on the kagome lattice geometry is a fully gapped spin liquid with numerical signatures of Z2{\mathbb{Z}}_{2}Z2​ gauge structure, and a further theoretical work [Lu, Ran, and Lee, Phys. Rev. B 83, 224413 (2011)], which gave a classification of all Schwinger-fermion mean-field fully symmetric Z2{\mathbb{Z}}_{2}Z2​ spin liquids on the kagome lattice, we have thoroughly studied Gutzwiller-projected fermionic wave functions by using quantum variational Monte Carlo techniques, hence implementing exactly the constraint of one fermion per site. In particular, we investigated the energetics of all Z2{\mathbb{Z}}_{2}Z2​ candidates (gapped and gapless) that lie in the neighborhood of the energetically competitive U(1) gapless spin liquids. By using a state-of-the-art optimization method, we were able to conclusively show that the U(1) Dirac state is remarkably stable with respect to all Z2{\mathbb{Z}}_{2}Z2​ spin liquids in its neighborhood, and in particular for opening a gap toward the so-called ${\mathbb{Z}}_{2}[0,\ensuremath{\pi}]\ensuremath{\beta}$ state, which was conjectured to describe the ground state obtained by the DMRG method. Finally, we also considered the addition of a small second nearest-neighbor exchange coupling of both antiferromagnetic and ferromagnetic type, and obtained similar results, namely, a U(1) Dirac spin-liquid ground state.
We assess the ground-state phase diagram of the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model on the Kagome lattice by employing Gutzwiller-projected fermionic wave functions. Within this framework, different states can be represented, defined by distinct unprojected fermionic Hamiltonians that include hopping and pairing terms, as well as a coupling to local Zeeman fields to generate magnetic order. For J2=0{J}_{2}=0J2​=0, the so-called U(1) Dirac state, in which only hopping is present (such as to generate a $\ensuremath{\pi}$-flux in the hexagons), has been shown to accurately describe the exact ground state [Y. Iqbal, F. Becca, S. Sorella, and D. Poilblanc, Phys. Rev. B 87, 060405(R) (2013); Y.-C. He, M. P. Zaletel, M. Oshikawa, and F. Pollmann, Phys. Rev. X 7, 031020 (2017).]. Here we show that its accuracy improves in the presence of a small antiferromagnetic superexchange J2{J}_{2}J2​, leading to a finite region where the gapless spin liquid is stable; then, for J2/J1=0.11(1){J}_{2}/{J}_{1}=0.11(1)J2​/J1​=0.11(1), a first-order transition to a magnetic phase with pitch vector q=(0,0)\mathbf{q}=(0,0)q=(0,0) is detected by allowing magnetic order within the fermionic Hamiltonian. Instead, for small ferromagnetic values of ∣J2∣/J1|{J}_{2}|/{J}_{1}∣J2​∣/J1​, the situation is more contradictory. While the U(1) Dirac state remains stable against several perturbations in the fermionic part (i.e., dimerization patterns or chiral terms), its accuracy clearly deteriorates on small systems, most notably on 36 sites where exact diagonalization is possible. Then, on increasing the ratio ∣J2∣/J1|{J}_{2}|/{J}_{1}∣J2​∣/J1​, a magnetically ordered state with $\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3}$ periodicity eventually overcomes the U(1) Dirac spin liquid. Within the ferromagnetic J2{J}_{2}J2​ regime, evidence is shown in favor of a first-order transition at ${J}_{2}/{J}_{1}=\ensuremath{-}0.065(5)$.
The parton approach for quantum spin liquids gives a transparent description of low-energy elementary excitations, e.g., spinons and emergent gauge-field fluctuations. The latter ones are directly coupled to the hopping/pairing of spinons. By using the fermionic representation of the U(1)U(1)U(1) Dirac state on the kagome lattice and variational Monte Carlo techniques to include the Gutzwiller projection, we analyze the effect of modifying the gauge fields in the spinon kinematics. In particular, we construct low-energy monopole excitations, which are shown to be gapless in the thermodynamic limit. States with a finite number of monopoles or with a finite density of them are also considered, with different patterns of the gauge fluxes. We show that these chiral states are not stabilized in the Heisenberg model with nearest-neighbor superexchange couplings, and the Dirac state corresponds to the lowest-energy ansatz within this family of variational wave functions. Our results support the idea that spinons with a gapless conical spectrum coexist with gapless monopole excitations, even for the spin-1/2 case.
We perform a Gutzwiller projected-wave-function study for the spin-1/2 Heisenberg model on the Kagomé lattice to compare energies of several spin-liquid states. The result indicates that a U(1)-Dirac spin-liquid state has the lowest energy. Furthermore, even without variational parameters, the energy turns out to be very close to that found by exact diagonalization. We show that such a U(1)-Dirac state represents a quantum phase whose low-energy physics is governed by four flavors of two-component Dirac fermions coupled to a U(1) gauge field. These results are discussed in the context of recent experiments on ZnCu(3)(OH)(6)Cl(2).
In this paper, we do a complete classification of valence-bond crystals (VBCs) on the kagomé lattice based on general arguments of symmetry only and thus identify many new VBCs for different unit cell sizes. For the spin-1/2 Heisenberg antiferromagnet, we study the relative energetics of competing gapless spin liquids (SLs) and VBC phases within the class of Gutzwiller-projected fermionic wave functions using variational Monte Carlo techniques, hence implementing exactly the constraint of one fermion per site. By using a state-of-the-art optimization method, we conclusively show that the U(1) Dirac SL is remarkably stable towards dimerizing into all 6-, 12- and 36-site unit cell VBCs. This stability is also preserved on addition of a next-nearest-neighbor super-exchange coupling of both antiferromagnetic and ferromagnetic (FM) type. However, we find that a 36-site unit cell VBC is stabilized on addition of a very small next-nearest-neighbor FM super-exchange coupling, i.e. | J 2 | ≈ 0.045, and this VBC is the same in terms of space-group symmetry as that obtained in an effective quantum dimer model study. It breaks reflection symmetry, has a nontrivial flux pattern and is a strong dimerization of the uniform RVB SL.