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arXiv:2609.11745

Unraveling the Kagome Antiferromagnetic $3J$ Model and Its Materials: An Integrated Approach

Xin Lu, Andreas Raikos, Menghan Song, Zezong Li, Lankun Han, Shiliang Li, Sylvain Capponi, Zi Yang Meng, Chengkang Zhou

Published Sep 10, 2026• 0 citations
arXivHTMLPDF

Abstract

We investigate the ground-state and finite-temperature properties of the kagome antiferromagnetic Heisenberg model with three inequivalent couplings, dubbed the $3J$ model, which is designed for the candidate Dirac quantum spin liquid (QSL) material YCu$_3$(OH)$_6$Br$_2$[Br$_{1-x}$(OH)$_x$] (see, e.g., Zeng et al., 2024). Employing large-scale density-matrix renormalization group (DMRG) supplemented by neural quantum states (NQS) simulations, we identify an intermediate QSL phase between two magnetically ordered phases. We also find that this QSL is separated from the kagome spin liquid ground state at the isotropic limit. To establish a direct comparison with experiments, we compute the specific heat of the model by means of advanced exponential (XTRG) and tangent-space (tanTRG) thermal tensor-network methods. In the magnetically ordered phase, the specific heat over temperature exhibits a shoulder at a temperature that is a fraction of the coupling strength $J_{h}$, which disappears in the QSL phase. These universal behaviors are consistent with the experimentally observed specific heat in $3J$ materials for both ordered and QSL candidate samples. Our work thus connects microscopic models with experimentally measurable signatures, exemplifying an integrated approach to understanding QSL phenomena in frustrated quantum magnets~ (see Meng et al., 2026), with $3J$ materials serving as a representative case and providing a foundation for future studies.

DOI
10.48550/arxiv.2609.11745

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Abstract Spin-1/2 kagome antiferromagnets are leading candidates for realizing quantum spin liquid (QSL) ground states. While QSL ground states are predicted for the pure Heisenberg model, understanding the robustness of the QSL to additional interactions that may be present in real materials is a forefront question in the field. Here we employ large-scale density-matrix renormalization group simulations to investigate the effects of next-nearest neighbor exchange couplings J 2 and Dzyaloshinskii-Moriya interactions D , which are relevant to understanding the prototypical kagome materials herbertsmithite and Zn-barlowite. By utilizing clusters as large as XC12 and extrapolating the results to the thermodynamic limit, we precisely delineate the scope of the QSL phase, which remains robust across an expanded parameter range of J 2 and D . Direct comparison of the simulated static and dynamic spin structure factors with inelastic neutron scattering reveals the parameter space of the Hamiltonians for herbertsmithite and Zn-barlowite, and, importantly, provides compelling evidence that both materials exist within the QSL phase. These results establish a powerful convergence of theory and experiment in this most elusive state of matter.
Quantum spin liquids (QSLs) host exotic fractionalized magnetic and gauge-field excitations whose microscopic origins and experimental verification remain frustratingly elusive. In the absence of static magnetic order, the spin excitation spectrum constitutes the crucial probe of QSL behavior, but its theoretical computation is a serious challenge. Here we employ state-of-the-art tensor-network methods to obtain the full dynamical spectral function of the J1J_1J1​-J2J_2J2​ kagome Heisenberg model and benchmark our results by tracking their evolution across the magnetically ordered and QSL phases. Reducing ∣J2∣/J1|J_2|/J_1∣J2​∣/J1​ causes increasingly strong spin-wave renormalization, flattening these modes then merging them into a continuum characteristic of deconfined spinons at all finite energies in the QSL. The low-energy continuum and the occurrence of gap closure at multiple high-symmetry points identify this gapless QSL as the U(1) Dirac spin liquid. These results establish a unified understanding of spin excitations in highly frustrated quantum magnets and provide clear spectral fingerprints for experimental detection in candidate kagome QSL materials.
Quantum spin liquids (QSLs) are exotic phases of matter that host fractionalized excitations. It is difficult for local probes to characterize QSL, whereas quantum entanglement can serve as a powerful diagnostic tool due to its nonlocality. The kagome antiferromagnetic Heisenberg model is one of the most studied and experimentally relevant models for QSL, but its solution remains under debate. Here, we perform a numerical Aharonov-Bohm experiment on this model and uncover universal features of the entanglement entropy. By means of the density matrix renormalization group, we reveal the entanglement signatures of emergent Dirac spinons, which are the fractionalized excitations of the QSL. This scheme provides qualitative insights into the nature of kagome QSL and can be used to study other quantum states of matter. As a concrete example, we also benchmark our methods on an interacting quantum critical point between a Dirac semimetal and a charge-ordered phase.
A quantum spin liquid (QSL) is an exotic quantum state of matter characterized by fluctuating spins which may exhibit long-range entanglement. Among the possible host candidates for a QSL ground state, the SSS=1/2 kagome lattice antiferromagnet is particularly promising. Using high resolution inelastic neutron scattering measurements on Zn-barlowite (Znx_\mathrm{x}x​Cu4−x_\mathrm{4-x}4−x​(OD)6_\mathrm{6}6​FBr, x≃0.80x\simeq 0.80x≃0.80), we measure a spin excitation spectrum consistent with a QSL ground state. Continuum scattering above $\sim1meVmatchesthatofherbertsmithite(Zn1 meV matches that of herbertsmithite (Zn1meVmatchesthatofherbertsmithite(Zn_\mathrm{x}CuCuCu_\mathrm{4-x}(OD)(OD)(OD)_6ClClCl_2$, x≃0.85x\simeq 0.85x≃0.85), another prominent kagome QSL material, indicating universal spinon excitations. A detailed analysis of the spin-spin correlations, compared with density matrix renormalization group calculations, further indicate a QSL ground state for the physically relevant Hamiltonian parameters. The measured spectra in Zn-barlowite are consistent with gapped behavior with a gap size Δ=1.1(2)Δ= 1.1(2)Δ=1.1(2) meV. Comparison with a simple pair correlation model allows us to clearly distinguish intrinsic kagome correlations from impurity-induced correlations. Our results clarify the behavior that is universal within this important family of QSL candidate materials.
Three different tensor network (TN) optimization algorithms are employed to accurately determine the ground state and thermodynamic properties of the spin-3/2 kagome Heisenberg antiferromagnet. We found that the sqrt[3]×sqrt[3] state (i.e., the state with 120^{∘} spin configuration within a unit cell containing 9 sites) is the ground state of this system, and such an ordered state is melted at any finite temperature, thereby clarifying the existing experimental controversies. Three magnetization plateaus (m/m_{s}=1/3,23/27, and 25/27) were obtained, where the 1/3-magnetization plateau has been observed experimentally. The absence of a zero-magnetization plateau indicates a gapless spin excitation that is further supported by the thermodynamic asymptotic behaviors of the susceptibility and specific heat. At low temperatures, the specific heat is shown to exhibit a T^{2} behavior, and the susceptibility approaches a finite constant as T→0. Our TN results of thermodynamic properties are compared with those from high-temperature series expansion. In addition, we disclose a quantum phase transition between q=0 state (i.e., the state with 120^{∘} spin configuration within a unit cell containing three sites) and sqrt[3]×sqrt[3] state in a spin-3/2 kagome XXZ model at the critical point Δ_{c}=0.54. This study provides reliable and useful information for further explorations on high-spin kagome physics.
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.