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arXiv:2205.07910 · Physical review. B./Physical review. B

Phase diagram and magnetic excitations of J1–J3 Heisenberg model on the square lattice

Muwei Wu, Shou-Shu Gong, Dao‐Xin Yao, Han-Qing Wu

Published Sep 16, 2022• 7 citations
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Abstract

We study the phase diagram and the dynamical spin structure factor of the spin-1/2 ${J}_{1}--{J}_{3}$ Heisenberg model on the square lattice using density matrix renormalization group, exact diagonalization (ED), and cluster perturbation theory (CPT). By extrapolating the order parameters and studying the level crossings of the low-lying energy and entanglement spectra, we obtain the phase diagram of this model and identify a narrow region of quantum spin liquid (QSL) phase followed by a plaquette valence-bond solid (PVBS) state in the intermediate region, whose nature has been controversial for many years. More importantly, we use CPT and ED to study the dynamical spin structure factor in the QSL and the PVBS phase. In the QSL phase, the high-energy magnon mode completely turns into some dispersive weak excitations around the $X$ and $M$ points. For the PVBS phase, the low-energy spectrum is characterized by a gapped triplet excitation, and at the high energy, we find another branch of dispersive excitation with broad continua, which is unlike the plaquette phase in the $2\ifmmode\times\else\texttimes\fi{}2$ checkerboard model. In the latter case, the second branch of excitation is nearly flat due to the weak effective interactions between the local excitations of the plaquettes. And in the ${J}_{1}--{J}_{3}$ Heisenberg model, the uniform interactions and the spontaneously translational symmetry breaking of the PVBS phase make the difference in the excitation spectra.

DOI
10.1103/physrevb.106.125129

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We perform an in-depth investigation of the phase diagram of the ${J}_{1}\ensuremath{-}{J}_{2}$ Heisenberg model on the square lattice. We take advantage of density matrix renormalization group and fully augmented matrix product states methods and reach unprecedented accuracy with large bond dimensions. We utilize excited-level crossing analysis to pinpoint the phase transition points. It was believed before that there exists a narrow spin liquid phase sandwiched by the N\'eel antiferromagnetic (AFM) and valence bond solid (VBS) phases. Through careful finite-size scaling of the level crossing points, we find a direct phase transition between the N\'eel AFM and VBS phases at J2/J1=0.535(3){J}_{2}/{J}_{1}=0.535(3)J2​/J1​=0.535(3), suggesting the absence of an intermediate spin liquid phase. We also provide accurate results for ground-state energies for a variety of sizes, from which we find that the transition between the N\'eel AFM and VBS phases is continuous. These results indicate the existence of a deconfined quantum critical point at J2/J1=0.535(3){J}_{2}/{J}_{1}=0.535(3)J2​/J1​=0.535(3) in the model. From the crossing of the first derivative of the energies with J2{J}_{2}J2​ for different sizes, we also determine the precise location of the first-order phase transition between the VBS and stripe AFM phases at J2/J1=0.610(5){J}_{2}/{J}_{1}=0.610(5)J2​/J1​=0.610(5).
We employ the spin cluster perturbation theory to investigate the dynamical properties of the antiferromagnetic ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg model on the honeycomb lattice. We obtain the excitation spectra for all possible phases in the phase diagram, including the N\'eel phase, plaquette valence-bond-solid phase, dimer valence-bond-solid phase, and stripe antiferromagnetic phase. In the N\'eel phase, besides the obvious renormalization of the magnon dispersion, we find that the spectrum exhibits a dome-shaped broad continuum around the second Brillouin zone (BZ) and the additional strong continuum close to the corner of the BZ. In the valence-bond-solid phases, the spectra are dominated by a strong broad continuum all the way down to below J1{J}_{1}J1​ coexisting with the lowest-energy triplon modes characterizing the plaquette and dimer phases. We ascribe this strong broad continuum and the additional continuum close to the BZ corner in the N\'eel phase to the contributions of fractionalized spinon excitations. In the stripe phase, a clear difference from the linear-spin-wave approximation is that the spectrum is gapped at the MMM point, while that obtained by the latter is gapless due to the strong quantum fluctuations. We point out that the features observed in the N\'eel phase are consistent with the recent neutron scattering experiments on YbCl3{\mathrm{YbCl}}_{3}YbCl3​ and YbBr3{\mathrm{YbBr}}_{3}YbBr3​.
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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.