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arXiv:1809.05200 · Physical review. B./Physical review. B

Magnetic susceptibility of quantum spin systems calculated by sine square deformation: One-dimensional, square lattice, and kagome lattice Heisenberg antiferromagnets

Chisa Hotta, Kenichi Asano

Published Oct 30, 2018• 27 citations
arXivHTMLPDF

Abstract

We develop a simple and unbiased numerical method to obtain the uniform susceptibility of quantum many-body systems. When a Hamiltonian is spatially deformed by multiplying it with a sine-square function that smoothly decreases from the system center toward the edges, the size-scaling law of the excitation energy is drastically transformed to a rapidly converging one. Then, the local magnetization at the system center becomes nearly size independent; the one obtained for the deformed Hamiltonian of a system length as small as $L\ensuremath{\sim}10$ provides the value obtained for the original uniform Hamiltonian of $L\ensuremath{\sim}100$. This allows us to evaluate a bulk magnetic susceptibility by using the magnetization at the center by existing numerical solvers without any approximation, parameter tuning, or size-scaling analysis. We demonstrate that the susceptibilities of the spin-1/2 antiferromagnetic Heisenberg chain and square lattice obtained by our scheme at $L\ensuremath{\sim}10$ agree within ${10}^{\ensuremath{-}3}$ with exact analytical and numerical solutions for $L=\ensuremath{\infty}$ down to temperatures of 0.1 times the coupling constant. We apply this method to the spin-1/2 kagome lattice Heisenberg antiferromagnet which is of prime interest in the search for spin liquids.

DOI
10.1103/physrevb.98.140405

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Magnetization plateaus in quantum spin systems emerges in two-dimensional frustrated systems such as kagome lattice. The spin-1/2 antiferromagnetic Heisenberg model on square-kagome lattice is also appropriate for the study of magnetization plateau. Motivated by recent experimental finding of such a square-kagome lattice with nonequivalent three bonds, we investigate the phase diagrams and magnetization plateaus of the lattice by the exact diagonalization method. In addition to previously reported the 1/3 and 2/3 plateaus in the model with two equivalent bonds, we find a new 2/3 plateau whose magnetic structure is characterized by spontaneously broken four-fold rotational symmetry. The plateau appears only in the case of three nonequivalent bonds. We propose the possibility of finding plateaus including the new one.

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We develop a simple and unbiased numerical method to obtain the uniform susceptibility of quantum many-body systems. When a Hamiltonian is spatially deformed by multiplying it with a sine-square function that smoothly decreases from the system center toward the edges, the size-scaling law of the excitation energy is drastically transformed to a rapidly converging one. Then, the local magnetization at the system center becomes nearly size independent; the one obtained for the deformed Hamiltonian of a system length as small as L\ensuremath∼10L\ensuremath{\sim}10L\ensuremath∼10 provides the value obtained for the original uniform Hamiltonian of L\ensuremath∼100L\ensuremath{\sim}100L\ensuremath∼100. This allows us to evaluate a bulk magnetic susceptibility by using the magnetization at the center by existing numerical solvers without any approximation, parameter tuning, or size-scaling analysis. We demonstrate that the susceptibilities of the spin-1/2 antiferromagnetic Heisenberg chain and square lattice obtained by our scheme at L\ensuremath∼10L\ensuremath{\sim}10L\ensuremath∼10 agree within 10\ensuremath−3{10}^{\ensuremath{-}3}10\ensuremath−3 with exact analytical and numerical solutions for L=\ensuremath∞L=\ensuremath{\infty}L=\ensuremath∞ down to temperatures of 0.1 times the coupling constant. We apply this method to the spin-1/2 kagome lattice Heisenberg antiferromagnet which is of prime interest in the search for spin liquids.
Abstract We study the temperature dependence of the thermodynamic properties of spin-1/2 antiferromagnets on two-dimensional lattices. Our analysis employs the sine-square deformation (SSD), in which a real-space envelope function is applied to the Hamiltonian so that the local energy scale is smoothly reduced to zero at the system boundaries. The quantum eigenstates of the SSD Hamiltonian exhibit bulk-like behavior near the system center, effectively mimicking the thermodynamic limit even in small finite-size calculations. Using these fictitious bulk states, we compute the energy density, specific heat, and magnetic susceptibility as functions of temperature. We find that both the triangular- and kagome-lattice antiferromagnets show either a shoulder or a pronounced double-peak structure in the low-temperature specific heat, whereas the kagome case particularly shows a strong enhancement of magnetic susceptibility down to the lowest temperature range. These direct comparisons, together with the square-lattice and one-dimensional cases, reveal that although both frustrated systems retain a substantial amount of entropy, the low-energy excitations below ∼ 0.5 J ∼0.5J\sim 0.5J∼0.5J of the kagome lattice are predominantly governed by the magnetic excited states, whereas not much for the triangular lattice.
We propose a method to determine the quantum phase boundaries of one-dimensional systems using sine-square deformation (SSD). Based on the proposition, supported by several exactly solved cases though not proven in full generality, that "if a one-dimensional system is gapless, then the expectation value of any local observable in the ground state of the Hamiltonian with SSD exhibits translational symmetry in the thermodynamic limit," we determine the quantum critical point as the location where a local observable becomes site-independent, identified through finite-size scaling analysis. As case studies, we consider two models: the antiferromagnetic Ising chain in mixed transverse and longitudinal magnetic fields with nearest-neighbor and long-range interactions. We calculate the ground state of these Hamiltonians with SSD using the density-matrix renormalization-group algorithm and evaluate the local transverse magnetization. For the nearest-neighbor model, we show that the quantum critical point can be accurately estimated by our procedure with systems of up to 84 sites, or even smaller, in good agreement with results from the literature. For the long-range model, we find that the phase boundary between the antiferromagnetic and paramagnetic phases is slightly shifted relative to the nearest-neighbor case, leading to a reduced region of antiferromagnetic order. Moreover, we propose an experimental procedure to implement the antiferromagnetic J1J_1J1​-J2J_2J2​ Ising couplings with SSD using Rydberg atom arrays in optical tweezers, which can be achieved within a very good approximation. Because multiple independent scaling conditions naturally emerge, our approach enables precise determination of quantum critical points and possibly even the extraction of additional critical phenomena, such as critical exponents, from relatively small system sizes.
Over the last decade, the interest in the spin-1/21/21/2 Heisenberg antiferromagnet (HAF) on the square kagome (also called shuriken) lattice has been growing as a model system of quantum magnetism with a quantum paramagnetic ground state, flat-band physics near the saturation field, and quantum scars. A further motivation to study this model comes from the recent discovery of a gapless spin liquid in the square kagome magnet KCu6AlBiO4(SO4)5Cl\mathrm{K}{\mathrm{Cu}}_{6}\mathrm{Al}\mathrm{Bi}{\mathrm{O}}_{4}{(\mathrm{S}{\mathrm{O}}_{4})}_{5}\mathrm{Cl}KCu6​AlBiO4​(SO4​)5​Cl [M. Fujihala et al., Nat. Commun. 11, 3429 (2020)]. Here, we present large-scale numerical investigations of the specific heat C(T)C(T)C(T), the entropy S(T),S(T),S(T), as well as the susceptibility $\ensuremath{\chi}(T)$ by means of the finite-temperature Lanczos method for system sizes of N=18,24,30,36,42,48N=18,24,30,36,42,48N=18,24,30,36,42,48, and N=54N=54N=54. We find that the specific heat exhibits a low-temperature shoulder below the major maximum which can be attributed to low-lying singlet excitations filling the singlet-triplet gap, which is significantly larger than the singlet-singlet gap. This observation is further supported by the behavior of the entropy S(T)S(T)S(T), where a change in curvature is present just at about T/J=0.2T/J=0.2T/J=0.2, the same temperature where the shoulder in CCC sets in. For the susceptibility the low-lying singlet excitations are irrelevant, and the singlet-triplet gap leads to an exponentially activated low-temperature behavior. The maximum in $\ensuremath{\chi}(T)$ is found at a pretty low temperature Tmax/J=0.146{T}_{\mathrm{max}}/J=0.146Tmax​/J=0.146 (for N=42N=42N=42) compared to Tmax/J=0.935{T}_{\mathrm{max}}/J=0.935Tmax​/J=0.935 for the unfrustrated square-lattice HAF signaling the crucial role of frustration also for the susceptibility. We find a striking similarity of our square kagome data with the corresponding ones for the kagome HAF down to very low TTT. The magnetization process featuring plateaus and jumps and the field dependence of the specific heat that exhibits characteristic peculiarities attributed to the existence of a flat one-magnon band are discussed as well.
Abstract Motivated by the need for high-precision benchmark results for basic quantum many-body models, several ground state properties of the square lattice S = 1 / 2 Heisenberg antiferromagnet are computed (the energy, order parameter, spin stiffness, spinwave velocity, long-wavelength susceptibility and staggered susceptibility) using extensive quantum Monte Carlo simulations with the stochastic series expansion method. Moderately sized lattices are studied at temperatures T sufficiently low to realize the T → 0 limit, with significantly reduced statistical errors relative to previous works. Results for periodic L × L lattices with L ∈ [ 6 , 96 ] are tabulated versus L and extrapolations to infinite system size are carried out. The relative statistical errors of finite-size energies are below 10 −7 . The extrapolated ground state energy density is e 0 = − 0.669 441 857 ( 7 ) , where the number within parentheses is the statistical error (one standard deviation) of the preceding digit. This value represents an improvement in precision of three orders of magnitude over the previous best result. The leading and subleading finite-size corrections to e 0 are in full quantitative agreement with predictions from chiral perturbation theory, thus further supporting the soundness of both the extrapolations and the theory. The extrapolated sublattice magnetization is m s = 0.307 447 ( 2 ) , which agrees well with previous estimates but with a much smaller statistical error. The coefficient of the linear in L −1 correction to m s 2 agrees with the value from chiral perturbation theory and the presence of a factor ln γ ⁡ ( L ) in the second-order correction is also confirmed, with the previously unknown value of the exponent being γ = 0.82 ( 4 ) . The finite-size corrections to the staggered susceptibility point to logarithmic corrections in this quantity as well. To facilitate benchmarking of methods for which periodic boundary conditions are challenging, results for systems with open and cylindrical boundaries are also listed and their spatially inhomogeneous order parameters are analyzed.
We consider the spin-1/2 antiferromagnetic Heisenberg model on the two-dimensional square-kagome lattice with almost dispersionless lowest magnon band. For a general exchange coupling geometry we elaborate low-energy effective Hamiltonians which emerge at high magnetic fields. The effective model to describe the low-energy degrees of freedom of the initial frustrated quantum spin model is the (unfrustrated) square-lattice spin-1/2 XXZ model in a z-aligned magnetic field. For the effective model we perform quantum Monte Carlo simulations to discuss the low-temperature properties of the square-kagome quantum Heisenberg antiferromagnet at high magnetic fields. We pay special attention to a magnetic-field driven Berezinskii-Kosterlitz-Thouless phase transition which occurs at low temperatures.
Magnetization plateaus in quantum spin systems emerges in two-dimensional frustrated systems such as kagome lattice. The spin-1/2 antiferromagnetic Heisenberg model on square-kagome lattice is also appropriate for the study of magnetization plateau. Motivated by recent experimental finding of such a square-kagome lattice with nonequivalent three bonds, we investigate the phase diagrams and magnetization plateaus of the lattice by the exact diagonalization method. In addition to previously reported the 1/3 and 2/3 plateaus in the model with two equivalent bonds, we find a new 2/3 plateau whose magnetic structure is characterized by spontaneously broken four-fold rotational symmetry. The plateau appears only in the case of three nonequivalent bonds. We propose the possibility of finding plateaus including the new one.