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arXiv:cond-mat/9911161 · Physical Review Letters

Spontaneous Plaquette Dimerization in the J 1 – J 2 Heisenberg Model

Luca Capriotti, Sandro Sorella

Published Apr 3, 2000• 203 citations
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Abstract

We investigate the nonmagnetic phase of the spin-half frustrated Heisenberg antiferromagnet on the square lattice using exact diagonalization (up to 36 sites) and quantum Monte Carlo techniques (up to 144 sites). The spin gap and the susceptibilities for the most important crystal symmetry breaking operators are computed. A genuine and somehow unexpected "plaquette resonating valence bond," with spontaneously broken translation symmetry and no broken rotation symmetry, comes out from our numerical simulations as the most plausible ground state for J(2)/J(1) approximately 0.5.

DOI
10.1103/physrevlett.84.3173

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We investigate the nonmagnetic phase of the spin-half frustrated Heisenberg antiferromagnet on the square lattice using exact diagonalization (up to 36 sites) and quantum Monte Carlo techniques (up to 144 sites). The spin gap and the susceptibilities for the most important crystal symmetry breaking operators are computed. A genuine and somehow unexpected "plaquette resonating valence bond," with spontaneously broken translation symmetry and no broken rotation symmetry, comes out from our numerical simulations as the most plausible ground state for J(2)/J(1) approximately 0.5.
We study an S = 1/2 Heisenberg model on the honeycomb lattice with first and second neighbor antiferromagnetic exchange (J(1)-J(2) model), employing exact diagonalization in both the S(z) = 0 basis and nearest neighbor singlet valence bond (NNVB) basis. We find that for 0.2 < J(2)/J(1) < 0.3, the NNVB basis gives a proper description of the ground state in comparison with the exact results. By analyzing the dimer-dimer as well as the plaquette-plaquette correlations and also defining appropriate structure factors, we investigate possible symmetry breaking states as the candidates for the ground state in the frustrated region. We provide a body of evidence in favor of plaquette valence bond ordering for 0.2 < J(2)/J(1) < 0.3. By further increasing the ratio J(2)/J(1), this state undergoes a transition to the staggered dimerized state.
We study the spin-1/2 Heisenberg model on the square lattice with first- and second-neighbor antiferromagnetic interactions J(1) and J(2), which possesses a nonmagnetic region that has been debated for many years and might realize the interesting Z(2) spin liquid. We use the density matrix renormalization group approach with explicit implementation of SU(2) spin rotation symmetry and study the model accurately on open cylinders with different boundary conditions. With increasing J(2), we find a Néel phase and a plaquette valence-bond (PVB) phase with a finite spin gap. From the finite-size scaling of the magnetic order parameter, we estimate that the Néel order vanishes at J(2)/J(1)≃0.44. For 0.5<J(2)/J(1)<0.61, we find dimer correlations and PVB textures whose decay lengths grow strongly with increasing system width, consistent with a long-range PVB order in the two-dimensional limit. The dimer-dimer correlations reveal the s-wave character of the PVB order. For 0.44<J(2)/J(1)<0.5, spin order, dimer order, and spin gap are small on finite-size systems, which is consistent with a near-critical behavior. The critical exponents obtained from the finite-size spin and dimer correlations could be compatible with the deconfined criticality in this small region. We compare and contrast our results with earlier numerical studies.
Using a Lanczos technique we study the frustrated spin-(1/2 Heisenberg model on square lattices of 16 and 20 sites. Frustration is introduced by an interaction along the diagonals of the plaquettes with coupling J2{J}_{2}J2​\ensuremath{\ge}0. For large J2{J}_{2}J2​ we found that the ground state breaks (spontaneously) the lattice rotational symmetry. For intermediate values of J2{J}_{2}J2​, the squares of order parameters associated with spin-Peierls and ``twisted'' states have a peak while a similar quantity for a chiral state shows no interesting structure.
We present a comprehensive computational study of the phase diagram of the frustrated S=1/2S=1/2S=1/2 Heisenberg antiferromagnet on the honeycomb lattice, with second-nearest (J2)({J}_{2})(J2​) and third-neighbor (J3)({J}_{3})(J3​) couplings. Using a combination of exact diagonalizations (EDs) of the original spin model, of the Hamiltonian projected into the nearest-neighbor short-range valence-bond basis, and of an effective quantum dimer model, as well as a self-consistent cluster mean-field theory, we determine the boundaries of several magnetically ordered phases in the region ${J}_{2},{J}_{3}\ensuremath{\in}[0,1]$, and find a sizable magnetically disordered region in between. We characterize part of this magnetically disordered phase as a plaquette valence-bond crystal phase. At larger J2{J}_{2}J2​, we locate a sizable region in which staggered valence-bond crystal correlations are found to be important, either due to genuine valence-bond crystal (VBC) ordering or as a consequence of magnetically ordered phases, which break lattice rotational symmetry. Furthermore, we find that a particular parameter-free Gutzwiller projected tight-binding wave function has remarkably accurate energies compared to finite-size extrapolated ED energies along the transition line from conventional N\'eel to plaquette VBC phases, a fact that points to possibly interesting critical behavior---such as a deconfined critical point---across this transition. We also comment on the relevance of this spin model to model the spin liquid region found in the half filled Hubbard model on the honeycomb lattice.
Using both exact diagonalizations and diagonalizations in a subset of short-range valence-bond singlets, we address the nature of the groundstate of the Heisenberg spin-1∕21∕21∕2 antiferromagnet on the square lattice with competing next-nearest and next-next-nearest neighbor antiferromagnetic couplings (${J}_{1}\ensuremath{-}{J}_{2}\ensuremath{-}{J}_{3}$ model). A detailed comparison of the two approaches reveals a region along the line (J2+J3)∕J1=1∕2({J}_{2}+{J}_{3})∕{J}_{1}=1∕2(J2​+J3​)∕J1​=1∕2, where the description in terms of nearest-neighbor singlet coverings is excellent, therefore providing evidence for a magnetically disordered region. Furthermore, a careful analysis of dimer-dimer correlation functions, dimer structure factors and plaquette-plaquette correlation functions provides striking evidence for the presence of a plaquette valence bond crystal order in part of the magnetically disordered region.
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.