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arXiv:1508.05200 · Physical Review B

Nonperturbative linked-cluster expansions for the trimerized ground state of the spin-one kagome Heisenberg model

Dominik Ixert, Tobias Tischler, Kai Phillip Schmidt

Published Nov 30, 2015• 13 citations
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Abstract

We use nonperturbative linked-cluster expansions to determine the ground-state energy per site of the spin-one Heisenberg model on the kagome lattice. To this end, a parameter is introduced allowing us to interpolate between a fully trimerized state and the isotropic model. The ground-state energy per site of the full graph decomposition up to graphs of six triangles (18 spins) displays a complex behavior as a function of this parameter close to the isotropic model which we attribute to divergencies of partial series in the graph expansion of quasi-1D unfrustrated chain graphs. More concretely, these divergencies can be traced back to a quantum critical point of the one-dimensional unfrustrated chain of coupled triangles. Interestingly, the reorganization of the nonperturbative linked-cluster expansion in terms of clusters with enhanced symmetry yields a ground-state energy per site of the isotropic two-dimensional model that is in quantitative agreement with other numerical approaches in favor of a spontaneous trimerization of the system. Our findings are of general importance for any nonperturbative linked-cluster expansion on geometrically frustrated systems.

DOI
10.1103/physrevb.92.174422

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We use nonperturbative linked-cluster expansions to determine the ground-state energy per site of the spin-one Heisenberg model on the kagome lattice. To this end, a parameter is introduced allowing us to interpolate between a fully trimerized state and the isotropic model. The ground-state energy per site of the full graph decomposition up to graphs of six triangles (18 spins) displays a complex behavior as a function of this parameter close to the isotropic model which we attribute to divergencies of partial series in the graph expansion of quasi-1D unfrustrated chain graphs. More concretely, these divergencies can be traced back to a quantum critical point of the one-dimensional unfrustrated chain of coupled triangles. Interestingly, the reorganization of the nonperturbative linked-cluster expansion in terms of clusters with enhanced symmetry yields a ground-state energy per site of the isotropic two-dimensional model that is in quantitative agreement with other numerical approaches in favor of a spontaneous trimerization of the system. Our findings are of general importance for any nonperturbative linked-cluster expansion on geometrically frustrated systems.
We introduce a generic scheme to perform nonperturbative linked cluster expansions in long-range ordered quantum phases. Clusters are considered to be surrounded by an ordered reference state leading to effective edge fields in the exact diagonalization on clusters, which break the associated symmetry of the ordered phase. Two approaches, based either on a self-consistent solution of the order parameter or on minimal sensitivity with respect to the ground-state energy per site, are formulated to find the optimal edge field in each NLCE order. Furthermore, we investigate the scaling behavior of the NLCE data sequences towards the infinite-order limit. We apply our scheme to gapped and gapless ordered phases of XXZ Heisenberg models on various lattices and for spins 1/2 and 1 using several types of cluster expansions ranging from a full-graph decomposition, rectangular clusters, up to more symmetric square clusters. It is found that the inclusion of edge fields allows to regularize nonperturbative linked-cluster expansions in ordered phases yielding convergent data sequences. This includes the long-range spin-ordered ground state of the spin-1/2 and spin-1 Heisenberg model on the square and triangular lattice as well as the trimerized valence bond crystal of the spin-1 Heisenberg model on the kagome lattice.
We study the phase diagram of the spin-1 quantum bilinear-biquadratic antiferromagnet on the kagome lattice using exact diagonalization and the density matrix renormalization group algorithm. The SU(3)\mathrm{SU}(3)SU(3)-symmetric point of this model Hamiltonian is a spontaneously trimerized state whose qualitative nature persists even at the Heisenberg point, a finding that contrasts previous proposals. We report the ground state energy per site of the Heisenberg model to be $\ensuremath{-}1.410(2)$ and establish the presence of a spin gap.
We study the low-energy properties of Heisenberg antiferromagnetic spin-1/2 and spin-1 systems on various clusters made up of triangles. Some of the clusters have a geometry similar to representative pieces of the Kagome lattice, while others have the geometry of a sawtooth chain. While the ground state always has the lowest possible spin (0 or 1/2), the nature of the low-energy excitations depends on the geometry and the site spin. For the Kagome clusters with spin-1 sites, the lowest excitations are gapped, with singlet and triplet excitations having similar gaps. This is in contrast to Kagome clusters with spin-1/2 sites where there are several low-energy singlet excitations (possibly gapless in the thermodynamic limit), while triplet excitations have a gap. For the sawtooth chain with spin-1 sites, the lowest excitations are triplets with a gap; the gap to singlet excitations is about twice the triplet gap.
We use linked-cluster expansions to analyze the quantum phase transitions between symmetry-unbroken trivial and topological Haldane phases in two different spin-one chains. The first model is the spin-one Heisenberg chain in the presence of a single-ion anisotropy, while the second one is the dimerized spin-one Heisenberg chain. For both models, we determine the ground-state energy and the one-particle gap inside the nontopological phase as a high-order series using perturbative continuous unitary transformations. Extrapolations of the gap series are applied to locate the quantum critical point and to extract the associated critical exponent. We find that this approach works unsatisfactorily for the anisotropic chain, since the quality of the extrapolation appears insufficient due to the large correlation length exponent. In contrast, extrapolation schemes display very good convergence for the gap closing in the case of the dimerized spin-one Heisenberg chain.
Motivated by experimental results for the thermodynamic properties of the Rb 2 Cu 3 SnF 12 material and the discovery of its valence-bond solid ground state, we utilize the numerical linked-cluster expansions (NLCEs) and devise an expansion tailored to solve the Heisenberg model on a pinwheel-distorted kagome lattice. Using the exchange interactions that are relevant to Rb 2 Cu 3 SnF 12 , we calculate its uniform spin susceptibility and find a very good agreement with experiment. Next, we focus on the ground state of a simplified model of the distorted kagome lattice and take advantage of a zero-temperature Lanczos-based NLCE to study the approach to the ground state of the uniform kagome lattice Heisenberg model using a tuning parameter. Together with results from exact diagonalization of finite clusters, we find evidence that a phase transition occurs before the uniform limit is reached.
We derive exact results for close-packed dimers on the triangular kagome lattice (TKL), formed by inserting triangles into the triangles of the kagome lattice. Because the TKL is a nonbipartite lattice, dimer-dimer correlations are short ranged so that the ground state at the Rokhsar-Kivelson (RK) point of the corresponding quantum dimer model on the same lattice is a short-ranged spin liquid. Using the Pfaffian method, we derive an exact form for the free energy, and we find that the entropy is 13ln 2\frac{1}{3}\text{ln}\text{ }231​ln 2 per site, regardless of the weights of the bonds. The occupation probability of every bond is 14\frac{1}{4}41​ in the case of equal weights on every bond. Similar to the case of lattices formed by corner-sharing triangles (such as the kagome and squagome lattices), we find that the dimer-dimer correlation function is identically zero beyond a certain (short) distance. We find in addition that monomers are deconfined on the TKL, indicating that there is a short-ranged spin liquid phase at the RK point. We also find exact results for the ground-state energy of the classical Heisenberg model. The ground state can be ferromagnetic, ferrimagnetic, locally coplanar, or locally canted, depending on the couplings. From the dimer model and the classical spin model, we derive upper bounds on the ground-state energy of the quantum Heisenberg model on the TKL.