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Journal of Physics Conference Series

Numerical linked-cluster expansion for the distorted kagome lattice Heisenberg model

Ehsan Khatami, Marcos Rigol

Published Dec 20, 2012• 0 citations
Publisher

Abstract

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.

DOI
10.1088/1742-6596/402/1/012018

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Motivated by a recent experiment on Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​, where spin-1/2 Cu2+{\text{Cu}}^{2+}Cu2+ moments reside on the layers of kagome-like lattices, we investigate quantum ground states of the antiferromagnetic Heisenberg model on a series of deformed kagome lattices. The deformation is characterized by a weaker exchange coupling $\ensuremath{\alpha}J$ on certain lattice links appropriate for Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​ with $\ensuremath{\alpha}=1$ corresponding to the ideal kagome lattice. In particular, we study possible valence bond solid phases using the perturbation theory around isolated dimer limits, dimer series expansion, and self-consistent bond operator mean-field theory. It is shown that the valence bond solid phase with a 36-site unit cell of the ideal kagome lattice is quite sensitive to a small lattice distortion as the kind discovered in Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​. As a result, we find that a more likely quantum ground state in Rb2Cu3SnF12{\text{Rb}}_{2}{\text{Cu}}_{3}{\text{SnF}}_{12}Rb2​Cu3​SnF12​ is the valence bond solid phase with a 12-site unit cell, where six dimers form a pinwheel structure, leading to strong modification of the elementary triplet and singlet excitation spectra in the deformed kagome lattices.
We discuss recently introduced numerical linked-cluster (NLC) algorithms that allow one to obtain temperature-dependent properties of quantum lattice models, in the thermodynamic limit, from exact diagonalization of finite clusters. We present studies of thermodynamic observables for spin models on square, triangular, and kagomé lattices. Results for several choices of clusters and extrapolations methods, that accelerate the convergence of NLCs, are presented. We also include a comparison of NLC results with those obtained from exact analytical expressions (where available), high-temperature expansions (HTE), exact diagonalization (ED) of finite periodic systems, and quantum Monte Carlo simulations. For many models and properties NLC results are substantially more accurate than HTE and ED.
Abstract We study the Heisenberg antiferromagnet on the maple-leaf lattice using several numerical approaches, focusing on the numerical linked-cluster expansion (NLCE), which exhibits an unconventional convergence extending to low and even zero temperatures. We evaluate thermodynamic properties as well as spin–spin correlations through the equal-time structure factor. Within NLCE, the specific heat capacity reveals a two-peak structure at T 1 ≈ 0.479 J and T 2 ≈ 0.131 J, reminiscent of the corresponding result for the triangular lattice. At intermediate temperatures, the spin–spin structure factor develops features that reflect the absence of reflection symmetry in the lattice. The zero-temperature convergence of NLCE enables reliable estimates of the ground-state energy and points to a short-range correlated paramagnetic ground state composed of resonating hexagonal motifs. The NLCE results are benchmarked against pseudo-Majorana functional renormalization group, finite-temperature Lanczos, and classical Monte Carlo simulations.
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The ground state phase transition in the distorted S=1 kagomé Heisenberg antiferromagnet (KHAF) is studied by means of the perturbational calculation and numerical exact diagonalization method. For strong 3×3\sqrt{3} \times \sqrt{3}3​×3​ lattice distortion, the hexgonal singlet solid (HSS) ground state of the uniform KHAF is destroyed and new singlet state, large HSS (LHSS) state, which is globally different from the HSS state is realized. The quantum phase transition between these two singlet states is analogous to the Haldane-dimer transition in the S=1 antiferromagnetic Heisenberg chain. The presence of this transition supports the validity of the HSS picture of the ground state of the uniform S=1 KHAF.
Quantum spin models on two-dimensional corner-sharing triangular arrangements, e.g., the kagome lattice, are fertile playgrounds for realizing exotic phases. Following the recent report of a gapless spin liquid in KCu6{}_{6}6​AlBiO4{}_{4}4​(SO4{}_{4}4​)5{}_{5}5​Cl, wherein the Cu2+{}^{2+}2+ spin-\textonehalf{} ions form a perfect two-dimensional shuriken lattice, the authors employ state-of-the-art quantum many-body approaches to reveal a pinwheel valence-bond-crystal ground state of the isotropic Heisenberg antiferromagnet. This work thus points to the important role of spatial anisotropy in triggering the gapless spin liquid, in contrast to the kagome material herbertsmithite.