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arXiv:cond-mat/0503296 · Physical Review B

Anisotropic pyrochlores and the global phase diagram of the checkerboard antiferromagnet

Oleg A. Starykh, Akira Furusaki, Leon Balents

Published Sep 14, 2005• 76 citations
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Abstract

We study the phase diagram of two models of spin-$1∕2$ antiferromagnets composed of corner-sharing tetrahedra, the basis of the pyrochlore structure. Primarily, we focus on the Heisenberg antiferromaget on the checkerboard lattice (also called the planar pyrochlore and crossed-chain model). This model has an anisotropic limit, when the dimensionless ratio of two exchange constants ${J}_{\ifmmode\times\else\texttimes\fi{}}∕J⪡1$, in which it consists of one-dimensional spin chains coupled weakly together in a frustrated fashion. Using recently developed techniques combining renormalization group ideas and one-dimensional bosonization and current algebra methods, we show that in this limit the model enters a crossed-dimer state with twofold spontaneous symmetry breaking but no magnetic order. We complement this result by an approximate ``quadrumer triplet boson'' calculation, which qualitatively captures the physics of the ``plaquette valence-bond solid'' state believed to obtain for ${J}_{\ifmmode\times\else\texttimes\fi{}}∕J\ensuremath{\approx}1$. Using these known points in parameter space, the instabilities pointed to by the quadrumer boson calculation, and the simple limit ${J}_{\ifmmode\times\else\texttimes\fi{}}∕J⪢1$, we construct a few candidate global phase diagrams for the model, and discuss the nature of the quantum phase transitions contained therein. Finally, we apply our quasi-one-dimensional techniques to an anisotropic limit of the three-dimensional pyrochlore antiferromagnet, an approximate model for magnetism in $\mathrm{Ge}{\mathrm{Cu}}_{2}{\mathrm{O}}_{4}$. A crossed-dimer state is predicted here as well.

DOI
10.1103/physrevb.72.094416

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We study the phase diagram of two models of spin-1∕21∕21∕2 antiferromagnets composed of corner-sharing tetrahedra, the basis of the pyrochlore structure. Primarily, we focus on the Heisenberg antiferromaget on the checkerboard lattice (also called the planar pyrochlore and crossed-chain model). This model has an anisotropic limit, when the dimensionless ratio of two exchange constants J\ifmmode×\else\texttimes\fi∕J⪡1{J}_{\ifmmode\times\else\texttimes\fi{}}∕J⪡1J\ifmmode×\else\texttimes\fi​∕J⪡1, in which it consists of one-dimensional spin chains coupled weakly together in a frustrated fashion. Using recently developed techniques combining renormalization group ideas and one-dimensional bosonization and current algebra methods, we show that in this limit the model enters a crossed-dimer state with twofold spontaneous symmetry breaking but no magnetic order. We complement this result by an approximate quadrumer triplet boson'' calculation, which qualitatively captures the physics of the plaquette valence-bond solid'' state believed to obtain for J\ifmmode×\else\texttimes\fi∕J\ensuremath≈1{J}_{\ifmmode\times\else\texttimes\fi{}}∕J\ensuremath{\approx}1J\ifmmode×\else\texttimes\fi​∕J\ensuremath≈1. Using these known points in parameter space, the instabilities pointed to by the quadrumer boson calculation, and the simple limit J\ifmmode×\else\texttimes\fi∕J⪢1{J}_{\ifmmode\times\else\texttimes\fi{}}∕J⪢1J\ifmmode×\else\texttimes\fi​∕J⪢1, we construct a few candidate global phase diagrams for the model, and discuss the nature of the quantum phase transitions contained therein. Finally, we apply our quasi-one-dimensional techniques to an anisotropic limit of the three-dimensional pyrochlore antiferromagnet, an approximate model for magnetism in GeCu2O4\mathrm{Ge}{\mathrm{Cu}}_{2}{\mathrm{O}}_{4}GeCu2​O4​. A crossed-dimer state is predicted here as well.
We study the zero-temperature ground-state (GS) properties of the spin-1/2 anisotropic planar pyrochlore, using the coupled cluster method (CCM) implemented to high orders of approximation. The system comprises a J 1-J 2 model on the checkerboard lattice, with isotropic Heisenberg interactions of strength J 1 between all nearest-neighbour pairs of spins on the square lattice, and of strength J 2 between half of the next-nearest-neighbour pairs (in the checkerboard pattern). We calculate results for the GS energy and average local GS on-site magnetization, using various antiferromagnetic classical ground states as CCM model states. We also give results for the susceptibility of one of these states against the formation of crossed-dimer valence-bond crystalline (CDVBC) ordering. The complete GS phase diagram is presented for arbitrary values of the frustration parameter k≡J2/J1, and when each of the exchange couplings can take either sign.
The zero-temperature ground-state (GS) properties and phase diagram of a frustrated spin-1 J 1 - J 2 Heisenberg model on the checkerboard square lattice are studied, using the coupled cluster method. We consider the case where the nearest-neighbour exchange bonds have strength J 1 > 0 and the next-nearest-neighbour exchange bonds present (viz., in the checkerboard pattern of the planar pyrochlore) have strength J 2 = κ J 1 > 0. We find significant differences from both the spin-1/2 and classical versions of the model. We find that the spin-1 model has a first phase transition at κ C1 ≈ 1.00 ± 0.01 (as does the classical model at κ cl = 1) between two antiferromagnetic phases, viz., a quasiclassical Néel phase (for κ < κ C1 ) and one of the infinitely degenerate family of quasiclassical phases (for k > κ C1 ) that exists in the classical model for κ > κ c1 , which is now chosen by the order by disorder mechanism as (probably) the "doubled Néel" (or Néel*) state. By contrast, none of this family survives quantum fluctuations to form a stable GS phase in the spin-1/2 case. We also find evidence for a second quantum critical point at κ C2 ≈ 2.0 ± 0.5 in the spin-1 model, such that for κ > κ C2 the quasiclassical (Néel*) ordering melts and a nonclassical phase appears, which, on the basis of preliminary evidence, appears unlikely to have crossed-dimer valence-bond crystalline (CDVBC) ordering, as in the spin-1/2 case. Unlike in the spin-1/2 case, where the Néel and CDVBC phases are separated by a phase with plaquette valence-bond crystalline (PVBC) ordering, we find very preliminary evidence for such a PVBC state in the spin-1 model for all κ > κ C2 .
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.
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.
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.
I use an improved version of the two-step density-matrix renormalization group method to study ground-state properties of the two-dimensional (2D) Heisenberg model on the checkerboard lattice. In this version, the Hamiltonian is projected on a tensor product of two-leg ladders instead of chains. This allows investigations of 2D isotropic models. I show that this method can describe both the magnetically disordered and ordered phases. The ground-state phases of the checkerboard model as J2{J}_{2}J2​ increases are (i) N\'eel with $Q=(\ensuremath{\pi},\ensuremath{\pi})$, (ii) a valence-bond crystal (VBC) of plaquettes, (iii) N\'eel with $Q=(\ensuremath{\pi}∕2,\ensuremath{\pi})$, and (iv) a VBC of crossed dimers. In agreement with previous results, I find that at the isotropic point J2=J1{J}_{2}={J}_{1}J2​=J1​, the ground state is made of weakly interacting plaquettes with a large gap $\ensuremath{\Delta}\ensuremath{\approx}0.67{J}_{1}$ to triplet excitations. The same approach is also applied to the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model. There is no evidence of a columnar dimer phase in the highly frustrated regime.