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arXiv:1203.3421 · New Journal of Physics

Valence-bond crystals in the kagomé spin-1/2 Heisenberg antiferromagnet: a symmetry classification and projected wave function study

Yasir Iqbal, Federico Becca, Didier Poilblanc

Published Nov 28, 2012• 40 citations
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Abstract

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.

DOI
10.1088/1367-2630/14/11/115031

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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.
The highly frustrated spin-12\frac{1}{2}21​ quantum Heisenberg model with both nearest (J1{J}_{1}J1​) and next-nearest (J2{J}_{2}J2​) neighbor exchange interactions is revisited by using an extended variational space of projected wave functions that are optimized with state-of-the-art methods. Competition between modulated valence-bond crystals (VBCs) proposed in the literature and the Dirac spin liquid (DSL) is investigated. We find that the addition of a small ferromagnetic next-nearest-neighbor exchange coupling ∣J2∣>0.09J1|{J}_{2}|>0.09{J}_{1}∣J2​∣>0.09J1​ leads to stabilization of a 36-site unit cell VBC, although the DSL remains a local minimum of the variational parameter landscape. This implies that the VBC is not trivially connected to the DSL; instead it possesses a nontrivial flux pattern and large dimerization.
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.
The singlet dynamics, which plays a major role in the physics of the spin-1/2 quantum Heisenberg antiferromagnet (QHAF) on the kagome lattice, can be approximately described by projecting onto the nearest-neighbor valence bond (NNVB) singlet subspace. We revisit here the effective quantum dimer model, which originates from the latter NNVB-projected Heisenberg model via a nonperturbative Rokhsar-Kivelson-like scheme. By using Lanczos exact diagonalization on a 108-site cluster supplemented by a careful symmetry analysis, it is shown that a previously found 36-site valence bond crystal (VBC) in fact competes with a new type of 12-site ``resonating-columnar'' VBC. Interestingly, these two VBCs ``emerge'' in different topological sectors. The exceptionally large degeneracy of the ground-state multiplets (144 on our 108-site cluster) and the proximity of a Z2{\mathbb{Z}}_{2}Z2​ dimer liquid have implications for the interpretation of numerical results on the QHAF, which are outlined. The possibility of a chiral VBC (i.e., spontaneously breaking time-reversal symmetry) is also discussed.
We study the ground-state phase diagram of the spin-1/21/21/2 antiferromagnetic Heisenberg model on the square-kagome lattice using infinite projected entangled-pair states (iPEPS). By systematically varying the ratio of exchange couplings on triangular and square plaquettes, we establish a complete quantum phase diagram in the thermodynamic limit. In the intermediate-coupling regime, we identify four distinct nonmagnetic phases that are unambiguously characterized as valence-bond crystals (VBCs) by their symmetry-inequivalent patterns of strong and weak spin-spin correlations. These include a plaquette crossed-dimer VBC, a loop-six VBC stabilized around the isotropic point, a generalized pinwheel VBC with reduced rotational symmetry, and a decorated loop-six VBC proximate to ferrimagnetic order. We determine the phase boundaries using a combination of bond-resolved correlation functions, entanglement entropy, and magnetization. For transitions not accompanied by sharp entanglement signatures, we extract the spin gap from finite-field simulations, allowing us to distinguish gapped and gapless VBC phases. At larger coupling ratios, the system undergoes transitions into imperfect and perfect ferrimagnetic states. Our results resolve long-standing ambiguities in the square-kagome Heisenberg model and provide a quantitatively reliable reference for future theoretical and experimental studies of frustrated quantum magnets.
The doping of quantum Heisenberg antiferromagnets on the kagome lattice by nonmagnetic impurities is investigated within the framework of a generalized quantum dimer model (QDM) describing (a) the valence-bond crystal (VBC), (b) the dimer liquid, and (c) the critical region on equal footing. Following the approach by Ralko et al. [Phys. Rev. Lett. 101, 117204 (2008)] for the square and triangular lattices, we introduce the (minimal) extension of the QDM on the kagome lattice to account for spontaneous creation of mobile S=1/2S=1/2S=1/2 spinons at finite magnetic field. Modulations of the dimer density (at zero or finite magnetic field) and of the local field-induced magnetization in the vicinity of impurities are computed using Lanczos exact diagonalization techniques on small clusters (48 and 75 sites). The VBC is clearly revealed from its pinning by impurities, while, in the dimer liquid, crystallization around impurities involves only two neighboring dimers. We also find that a next-nearest-neighbor ferromagnetic coupling favors VBC order. Unexpectedly, a small-size spinon-impurity bound state appears in some region of the dimer-liquid phase. In contrast, in the VBC phase the spinon delocalizes within a large region around the impurity, revealing the weakness of the VBC confining potential. Lastly, we observe that an impurity concentration as small as 4% enhances dimerization substantially. These results are confronted to the valence-bond glass scenario [R. R. P. Singh, Phys. Rev. Lett. 104, 177203 (2010)] and implications to the interpretation of the nuclear magnetic resonance spectra of the Herbertsmithite compound are outlined.
Due to strong geometric frustration and quantum fluctuation, the S=1/2S=1/2S=1/2 quantum Heisenberg antiferromagnet on the kagome\text{kagome}kagome lattice has long been considered as an ideal platform to realize a spin liquid (SL), a phase exhibiting fractionalized excitations without any symmetry breaking. A recent numerical study (Yan et al., e-print arXiv:1011.6114) of the Heisenberg S=1/2,kagomeS=1/2,\text{kagome}S=1/2,kagome lattice model (HKLM) shows, in contrast to earlier results, that the ground state is a singlet-gapped SL with signatures of Z2{\mathbb{Z}}_{2}Z2​ topological order. Motivated by this numerical discovery, we use the projective symmetry group to classify all 20 possible Schwinger fermion mean-field states of Z2{\mathbb{Z}}_{2}Z2​ SLs on the kagome\text{kagome}kagome lattice. Among them we found only one gapped Z2{\mathbb{Z}}_{2}Z2​ SL (which we call the ${\mathbb{Z}}_{2}[0,\ensuremath{\pi}]\ensuremath{\beta}$ state) in the neighborhood of the U(1) Dirac SL state. Since its parent state, i.e., the U(1) Dirac SL, was found [Ran et al., Phys. Rev. Lett. 98, 117205 (2007)] to be the lowest among many other candidate U(1) SLs, including the uniform resonating-valence-bond states, we propose this ${\mathbb{Z}}_{2}[0,\ensuremath{\pi}]\ensuremath{\beta}$ state to be the numerically discovered SL ground state of the HKLM.