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arXiv:2210.07235 · Physical Review Letters

Abundance of Hard-Hexagon Crystals in the Quantum Pyrochlore Antiferromagnet

Robin Schäfer, Benedikt Placke, Owen Benton, Roderich Moessner

Published Aug 30, 2023• 19 citations
arXivHTMLPDF

Abstract

We propose a simple family of valence-bond crystals as potential ground states of the S=1/2 and S=1 Heisenberg antiferromagnet on the pyrochlore lattice. Exponentially numerous in the linear size of the system, these can be visualized as hard-hexagon coverings, with each hexagon representing a resonating valence-bond ring. This ensemble spontaneously breaks rotation, inversion, and translation symmetries. A simple, yet accurate, variational wave function allows a precise determination of the energy, confirmed by the density matrix renormalization group and numerical linked cluster expansion, and extended by an analysis of excited states. The identification of the origin of the stability indicates applicability to a broad class of frustrated lattices, which we demonstrate for the checkerboard and ruby lattices. Our work suggests a perspective on such quantum magnets, in which unfrustrated motifs are effectively uncoupled by the frustration of their interactions.

DOI
10.1103/physrevlett.131.096702

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Closely competing valence bond crystal orders in the ground state of the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg model on the pyrochlore lattice: a large scale unrestricted variational study
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Exact diagonalizations of the spin-1/2 Heisenberg model on the checkerboard lattice have been performed for sizes up to N=36 in the full Hilbert space and N=40 in the restricted subspace of first neighbor dimers. This antiferromagnet does not break SU(2) symmetry and displays long range order in 4-spin S=0 plaquettes. Both the symmetry properties of the spectrum and various correlations functions are extensively studied. At variance with the kagom{é} antiferromagnet, the Heisenberg quantum model on a checkerboard lattice is a Valence Bond Crystal. Some results concerning the 3-dimensionnal spin-1/2 pyrochlore magnet (for sizes 16 and 32) are also shown: this system could behave differently from its 2-dimensional analog.
Exact diagonalizations of the spin-1/2 Heisenberg model on the checkerboard lattice have been performed for sizes up to N=36N=36N=36 in the full Hilbert space and N=40N=40N=40 in the restricted subspace of first neighbor dimers. This antiferromagnet does not break SU(2) symmetry and displays long-range order in four-spin S=0S=0S=0 plaquettes. Both the symmetry properties of the spectrum and various correlations functions are extensively studied. At variance with the kagom\'e antiferromagnet, the Heisenberg quantum model on a checkerboard lattice is a valence bond crystal. Some results concerning the three-dimensional spin-1/2 pyrochlore magnet (for sizes 16 and 32) are also shown: this system could behave differently from its two-dimensional analog.
The spin-1=2 Heisenberg model on the pyrochlore lattice is an iconic frustrated three-dimensional spin system with a rich phase diagram.Besides hosting several ordered phases, the model is debated to possess a spin-liquid ground state when only nearest-neighbor antiferromagnetic interactions are present.Here, we contest this hypothesis with an extensive numerical investigation using both exact diagonalization and complementary variational techniques.Specifically, we employ a resonating-valence-bond-like, manyvariable, Monte Carlo ansatz and convolutional neural network quantum states for (variational) calculations with up to 4 × 4 3 and 4 × 3 3 spins, respectively.We demonstrate that these techniques yield consistent results, allowing for reliable extrapolations to the thermodynamic limit.We consider the ðλ; j 2 =j 1 Þ parameter space, with j 2 , j 1 being nearest and next-to-nearest neighbor interactions and λ the XXZ interaction anisotropy.Our main results are (1) the determination of the phase transition between the putative spin-liquid phase and the neighboring magnetically ordered phase and (2) a careful characterization of the ground state in terms of symmetry-breaking tendencies.We find clear indications of a dimer order with spontaneously broken inversion and rotational symmetry, calling the scenario of a featureless quantum spin liquid into question.Our work showcases how many-variable variational techniques can be used to make progress in answering challenging questions about three-dimensional frustrated quantum magnets.
We present variational results for the ground state of the antiferromagnetic quantum Heisenberg model with frustrating next-nearest-neighbour interactions. The trial wave functions employed are of resonating-valence-bond type, elaborated to account for various geometric motifs of adjacent bond pairs. The calculation is specialized to a square-lattice cluster consisting of just sixteen sites, large enough that the system can accommodate nontrivial singlet dimer correlations but small enough that exhaustive enumeration of states in the total spin zero sector is still feasible. A symbolic computation approach allows us to generate an algebraic expression for the expectation value of any observable and hence to carry out the energy optimization exactly. While we have no measurements that could unambiguously identify a spin liquid state in the controversial region at intermediate frustration, we can say that the bond-bond correlation factors that emerge do not appear to be consistent with the existence of a columnar valence bond crystal. Furthermore, our results suggest that the magnetically disordered region may accommodate two distinct phases.
We address the ground-state properties of the long-standing and much-studied three-dimensional quantum spin liquid candidate, the S=1/2 pyrochlore Heisenberg antiferromagnet. By using SU(2) density-matrix renormalization group (DMRG), we are able to access cluster sizes of up to 128 spins. Our most striking finding is a robust spontaneous inversion symmetry breaking, reflected in an energy density difference between the two sublattices of tetrahedra, familiar as a starting point of earlier perturbative treatments. We also determine the ground-state energy, E_{0}/N_{sites}=-0.490(6)J, by combining extrapolations of DMRG with those of a numerical linked cluster expansion. These findings suggest a scenario in which a finite-temperature spin liquid regime gives way to a symmetry-broken state at low temperatures.