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arXiv:2108.02847 · Physical review. B./Physical review. B

Gutzwiller projected states for the J 1 − J 2 Heisenberg model on the Kagome lattice: Achievements and pitfalls

Yasir Iqbal, Francesco Ferrari, Aishwarya Chauhan, Alberto Parola, Didier Poilblanc, Federico Becca

Published Oct 6, 2021• 34 citations
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Abstract

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 ${J}_{2}=0$, 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 ${J}_{2}$, leading to a finite region where the gapless spin liquid is stable; then, for ${J}_{2}/{J}_{1}=0.11(1)$, a first-order transition to a magnetic phase with pitch vector $\mathbf{q}=(0,0)$ is detected by allowing magnetic order within the fermionic Hamiltonian. Instead, for small ferromagnetic values of $|{J}_{2}|/{J}_{1}$, 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 $|{J}_{2}|/{J}_{1}$, 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 ${J}_{2}$ regime, evidence is shown in favor of a first-order transition at ${J}_{2}/{J}_{1}=\ensuremath{-}0.065(5)$.

DOI
10.1103/physrevb.104.144406

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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.
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 study the ground-state phase diagram of the quantum spin-1/2\text{spin-}1/2spin-1/2 Heisenberg model on the kagome lattice with first- (J1<0)({J}_{1}<0)(J1​<0), second- (J2<0)({J}_{2}<0)(J2​<0), and third-neighbor interactions (Jd>0)({J}_{d}>0)(Jd​>0) by means of analytical low-energy field theory and numerical density-matrix renormalization group (DMRG) studies. The results offer a consistent picture of the Jd-dominant{J}_{d}\text{-dominant}Jd​-dominant regime in terms of three sets of spin chains weakly coupled by the ferromagnetic interchain interactions J1,2{J}_{1,2}J1,2​. When either J1{J}_{1}J1​ or J2{J}_{2}J2​ is much stronger than the other one, the model is found to support one of two cuboctohedral phases, cuboc1, and cuboc2. These cuboc states host noncoplanar long-ranged magnetic order and possess finite scalar spin chirality. However, in the compensated regime ${J}_{1}\ensuremath{\simeq}{J}_{2}$, a valence bond crystal phase emerges between the two cuboc phases. We find excellent agreement between an analytical theory based on coupled spin chains and unbiased DMRG calculations, including at a very detailed level of comparison of the structure of the valence bond crystal state. To our knowledge, this is the first such comprehensive understanding of a highly frustrated two-dimensional quantum antiferromagnet. We find no evidence of either the one-dimensional gapless spin liquid or the chiral spin liquids, which were previously suggested by parton mean-field theories.
By using the variational Monte Carlo technique, we study the spin-12\frac{1}{2}21​ XXZ antiferromagnetic model (with easy-plane anisotropy) on the kagome lattice. A class of Gutzwiller projected fermionic states with a spin Jastrow factor is considered to describe either spin liquids [with U(1)U(1)U(1) or Z2{Z}_{2}Z2​ symmetry] or magnetically ordered phases [with q=(0,0)\mathbf{q}=(0,0)q=(0,0) or $\mathbf{q}=(4\ensuremath{\pi}/3,0)$]. We find that the magnetic states are not stable in the thermodynamic limit. Moreover, there is no energy gain to break the gauge symmetry from U(1)U(1)U(1) to Z2{Z}_{2}Z2​ within the spin-liquid states, as previously found in the Heisenberg model. The best variational wave function is therefore the U(1)U(1)U(1) Dirac state, supplemented by the spin Jastrow factor. Furthermore, a vanishing S=2S=2S=2 spin gap is obtained at the variational level, in the whole regime from the XYXYXY to the Heisenberg model.
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.
We perform an extensive density-matrix renormalization-group study of the ground-state phase diagram of the spin-$1/2\phantom{\rule{0.16em}{0ex}}{J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model on the kagome lattice. We focus on the region of the phase diagram around the kagome Heisenberg antiferromagnet, i.e., at J2=0{J}_{2}=0J2​=0. We investigate the static spin structure factor, the magnetic correlation lengths, and the spin gaps. Our results are consistent with the absence of magnetic order in a narrow region around ${J}_{2}\ensuremath{\approx}0$, although strong finite-size effects do not allow us to accurately determine the phase boundaries. This result is in agreement with the presence of an extended spin-liquid region, as it has been proposed recently. Outside the disordered region, we find that for ferromagnetic and antiferromagnetic J2{J}_{2}J2​, the ground state displays signatures of the magnetic order of the $\sqrt{3}\ifmmode\times\else\texttimes\fi{}\sqrt{3}$ and the q=0q=0q=0 type, respectively. Finally, we focus on the structure of the entanglement spectrum (ES) in the q=0q=0q=0 ordered phase. We discuss the importance of the choice of the bipartition on the finite-size structure of the ES.