Loop ensembles in Stochastic Series Expansion of Two-Dimensional Heisenberg Antiferromagnets
Vedant Motamarri
备注：
This work is also stored at https://www.library.iitb.ac.in/etd/ as part of the thesis repository at IIT Bombay. The new results in this thesis are being prepared for a publication
随机级数展开（Stochastic Series Expansion，SSE）方法结合对自旋或味值的重求和，可将量子反铁磁体的配分函数映射为高一维的密排环气体模型。Nahum等人的早期研究表明，某些三维密排环气体模型存在由宏观环主导的相，其中环长度的联合分布服从Poisson-Dirichlet分布。基于普适性原理，(2+1)维量子反铁磁体中得到的环系综预计也有相同特性，尽管这些环的微观起源不同。我们使用蒙特卡洛方法对方格晶格上SU(N)反铁磁体的SSE环系综进行采样，研究联合分布随表示阶数N和逆温度β的变化规律。我们观察到，在低温且N较小（≤4）的条件下，当反铁磁关联主导系统时，该分布确实表现出Poisson-Dirichlet行为的特征。
英文摘要：
The Stochastic Series Expansion (SSE) method along with resummation over the spin or flavor values maps the partition function of a quantum antiferromagnet to a closely-packed loop gas model in one higher dimension. Earlier work by Nahum et al. has shown that certain closely-packed three-dimensional loop gas models exhibit phases dominated by macroscopic loops, wherein the corresponding joint distribution of loop lengths is Poisson-Dirichlet. On grounds of universality, the same is expected of the ensemble of loops obtained in (2+1)-dimensional quantum antiferromagnets, albeit the loops emerge from a different microscopic origin. We sample the SSE loop ensemble for SU(N) antiferromagnets on a square lattice using Monte Carlo and study how the joint distribution varies with the degree of representation N and inverse temperature $β$. We observe that, for low temperatures and small N($\leq$ 4), the distribution indeed shows characteristics of Poisson-Dirichlet behaviour when antiferromagnetic correlations dominate the system.
Ordering of the geometrically frustrated two-dimensional Heisenberg antiferromagnet on a pyrochlore slab is studied by Monte Carlo simulations. In contrast to the kagomé Heisenberg antiferromagnet, the model exhibits locally non-coplanar spin structures at low temperatures, bearing nontrivial chiral degrees of freedom. Under certain conditions, the model exhibits a novel Kosterlitz-Thouless-type transition at a finite temperature associated with these chiral degrees of freedom.
The paper presents theoretical results on the magnetization of a diluted Heisenberg antiferromagnet on the square lattice for models with two exchange constants (J1-J2 and J1-J3). Cluster with up to five spins (5/2) are considered.
Classical Heisenberg antiferromagnets with uniaxial exchange anisotropy and a cubic anisotropy term in a field on simple cubic lattices are studied with the help of ground state considerations and extensive Monte Carlo simulations. Especially, we analyze the role of non-collinear structures of biconical type occurring in addition to the well-known antiferromagnetic and spin-flop structures. Pertinent phase diagrams are determined, and compared to previous findings.
The antiferromagnetic Heisenberg model on a stacked triangular geometry with a finite number of layers is studied using Monte Carlo methods. A topological phase transition occurs at finite temperature for all film thicknesses. Our results indicate that topological excitations are important for a complete understanding of the critical properties of the model between two and three dimensions.
We study classical Heisenberg antiferromagnets with uniaxial exchange anisotropy and a cubic anisotropy term on simple cubic lattices in an external magnetic field using ground state considerations and extensive Monte Carlo simulations. In addition to the antiferromagnetic phase field--induced spin--flop and non--collinear, biconical phases may occur. Phase diagrams and critical as well as multicritical phenomena are discussed. Results are compared to previous findings.
The classical Heisenberg antiferromagnet with uniaxial exchange anisotropy, the XXZ model, in a magnetic field on a simple cubic lattice is studied with the help of extensive Monte Carlo simulations. Analyzing, especially, various staggered susceptibilities and Binder cumulants, we present clear evidence for the meeting point of the antiferromagnetic, spin--flop, and paramagnetic phases being a bicritical point with Heisenberg symmetry. Results are compared to previous predictions based on various theoretical approaches.
Ordering of the geometrically frustrated two-dimensional Heisenberg antiferromagnet on a pyrochlore slab is studied by Monte Carlo simulations. The model is expected to serve as a reference system of SrCrGaO compound studied extensively. In sharp contrast to the kagomé Heisenberg antiferromagnet, the model exhibits locally non-coplanar spin structures at low temperatures, bearing nontrivial chiral degrees of freedom. We find that under certain conditions the model exhibits a novel Kosterlitz-Thouless-type transition at a finite temperature associated with these chiral degrees of freedom. Impli…
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An antiferromagnetic S=1/2 Heisenberg chain is mapped to the two-flavor massless Schwinger model at θ=π. The electromagnetic coupling constant and velocity of light in the Schwinger model are determined in terms of the Heisenberg coupling and lattice spacing in the spin chain system.
The energy spectrum of the two-magnon bound states in the Heisenberg-Ising antiferromagnet on the square lattice are calculated using series expansion methods. The results confirm an earlier spin-wave prediction of Oguchi and Ishikawa, that the bound states vanish into the continuum before the isotropic Heisenberg limit is reached.
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The classical and the quantum, spin $S=1/2, versions of the uniaxially anisotropic Heisenberg antiferromagnet on a square lattice in a field parallel to the easy axis are studied using Monte Carlo techniques. For the classical version, attention is drawn to biconical structures and fluctuations at low temperatures in the transition region between the antiferromagnetic and spin-flop phases. For the quantum version, the previously proposed scenario of a first-order transition between the antiferromagnetic and spin-flop phases with a critical endpoint and a tricritical point is scrutinized.
We report a Monte Carlo study of the classical antiferromagnetic Heisenberg model with easy axis anisotropy on the triangular lattice. Both the free energy cost for long wavelength spin waves as well as for the formation of free vortices are obtained from the spin stiffness and vorticity modulus respectively. Evidence for two distinct Kosterlitz-Thouless types of defect-mediated phase transitions at finite temperatures is presented.
By using the Wang-Landau flat-histogram Monte Carlo (MC) method for very large lattice sizes never simulated before, we show that the phase transition in the frustrated Heisenberg stacked triangular antiferromagnet is of first-order, contrary to results of earlier MC simulations using old-fashioned methods. Our result lends support to the conclusion of a nonperturbative renormalization group performed on an effective Hamiltonian. It puts an end to a 20-year long controversial issue.
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Theoretycal results on the magnetization and susceptibility of a Heisenberg diluted antiferromagnet in the square lattice are given. The models considered have two exchange constants (J1-J2 and J1-J3) of which the second is much smaller than the first (lopsided models). Cluster statistics for clusters with up to 5 spins is given. A procedure to account for the contribution to the magnetization of clusters with more than 5 spins is described.
Using a recently implemented integration method [Krech et. al.] based on an iterative second-order Suzuki-Trotter decomposition scheme, we have performed spin dynamics simulations to study the critical dynamics of the BCC Heisenberg antiferromagnet with uniaxial anisotropy. This technique allowed us to probe the narrow asymptotic critical region of the model and estimate the dynamic critical exponent $z=2.25 \pm 0.08$. Comparisons with competing theories and experimental results are presented.
An investigation of the Néel Long Range Order (NLRO) in the ground state of antiferromagnetic Heisenberg spin system on the two-dimensional, uniform, bipartite lattice consisting of squares, hexagons and dodecagons is presented. Basing on the analysis of the order parameter and the long-distance correlation function the NLRO is shown to occur in this system. Exact diagonalization and variational (Resonating Valence Bond) methods are applied.
The temperature dependence of the correlation length, susceptibilities and the magnetic structure factor of the two-dimensional spin-1 square lattice quantum Heisenberg antiferromagnet are computed by the quantum Monte Carlo loop algorithm (QMC). In the experimentally relevant temperature regime the theoretically predicted asymptotic low temperature behavior is found to be not valid. The QMC results however, agree reasonably well with the experimental measurements of La2NiO4 even without considering anisotropies in the exchange interactions.
The three-dimensional quenched random bond diluted $(J_1-J_2)$ quantum Heisenberg antiferromagnet is studied on a simple-cubic lattice. Using extensive stochastic series expansion quantum Monte Carlo simulations, we perform very long runs for $L \times L \times L$ lattice up to $L=48$. By employing standard finite-size scaling method, the numerical values of the Néel temperature are determined with high precision as a function of the coupling ratio $r=J_2/J_1$. Based on the estimated critical exponents, we find that the critical behavior of the considered model belongs to the pure classical $3…
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We investigate a frustrated Heisenberg spin-1/2 antiferromagnet on a fractal lattice of dimension d=ln3/ln2 (Sierpinski gasket). Calculations were performed using (a) exact diagonalization of all eigenstates and eigenvectors for systems up to N=15 and (b) the Decoupled-Cell Quantum-Monte-Carlo method for systems up to N=366. We present the low-lying spectrum and the specific heat. The specific heat shows a second maximum in the low-temperature region. This behavior is similar to the behavior of the quantum Heisenberg antiferromagnet on a kagome lattice and suggests a disordered ground state an…
Square lattice Heisenberg and XY antiferromagnets with uniaxial anisotropy in a field along the easy axis are studied. Based on ground state considerations and Monte Carlo simulations, the role of biconical structures in the transition region between the antiferromagnetic and spin--flop phases is analyzed. In particular, adding a single--ion anisotropy to the XXZ antiferromagnet, one observes, depending on the sign of that anisotropy, either an intervening biconical phase or a direct transition of first order separating the two phases. In case of the anisotropic XY model, the degeneracy of the…
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We study the low-temperature behaviour of the classical Heisenberg antiferromagnet with nearest neighbour interactions on the pyrochlore lattice. Because of geometrical frustration, the ground state of this model has an extensive number of degrees of freedom. We show, by analysing the effects of small fluctuations around the ground-state manifold, and from the results of Monte Carlo and molecular dynamics simulations, that the system is disordered at all temperatures, T, and has a finite relaxation time, which varies as 1/T for small T.
For Ising spin models which bear the spin-ice type macroscopic (quasi-)degeneracy, conventional classical Monte Carlo (MC) simulation using single spin flips suffers from dynamical freezing at low temperatures ($T$). A similar difficulty is seen also in a family of Heisenberg spin models with easy-axis anisotropy or biquadratic interactions. In the Ising case, the difficulty is avoided by introducing a non-local update based on the loop algorithm. We present an extension of the loop algorithm to the Heisenberg case. As an example of its application, we review our recent study on spin-glass (SG…
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The ordering of the classical Heisenberg antiferromagnet on the triangular lattice with the the bilinear-biquadratic interaction is studied by Monte Carlo simulations. It is shown that the model exhibits a topological phase transition at a finite-temperature driven by topologically stable vortices, while the spin correlation length remains finite even at and below the transition point. The relevant vortices could be of three different types, depending on the value of the biquadratic coupling. Implications to recent experiments on the triangular antiferromagnet NiGa$_2$S$_4$ is discussed.
The effect of the quenched bond-randomness on the ordering of the $S=1/2$ antiferromagnetic Heisenberg model on the kagome lattice is investigated by means of an exact-diagonalization method. When the randomness exceeds a critical value, the ground state of the model exhibits a transition within the non-magnetic state into the randomness-relevant gapless spin-liquid state. Implications to the S=1/2 kagome-lattice antiferromagnet herbertsmithite is discussed.
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 $\sqrt{3} \times \sqrt{3}$ 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 pres…
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Nearest-neighbor Heisenberg antiferromagnet on a face-centered cubic lattice is studied by extensive Monte Carlo simulations in zero magnetic field. The parallel tempering algorithm is utilized, which allows to overcome a slow relaxation of the magnetic order parameter and fully equilibrate moderate size clusters with up to N ~ 7*10^3 spins. By collecting energy and order parameter histograms on clusters with up to N ~ 2*10^4 sites we accurately locate the first-order transition point at T_c=0.4459(1)J.
The topological classification of a series of frustration-induced spin-gap phases in the spin-1/2 ferromagnetic--antiferromagnetic alternating Heisenberg chain with next-nearest-neighbour interaction reported in J. Phys. Soc. Jpn. 82, 064703 (2013) is confirmed using two kinds of entanglement spectra defined by different divisions of the whole chain. For the numerical calculation, the iDMRG method is used. The results are consistent with the valence bond solid picture proposed in the previous paper.
Using an approximation method for eigenvalue distribution functions, we study the temperature dependence of specific heat of the antiferromagnetic Heisenberg model on the asymmetric railroad-trestle lattice. This model contains both the sawtooth-lattice and Majumdar-Ghosh models as special cases. Making extrapolations to the thermodynamic limit using finite size data up to 28 spins, it is found that specific heat of the Majumdar-Ghosh model has a two-peak structure in its temperature dependence and those of systems near the sawtooth-lattice point have a three-peak structure.
Over the years the research group in Firenze has produced a number of theoretical results concerning the statistical mechanics of quantum antiferromagnetic models, which range from the theory of two-magnon Raman scattering to the characterization of the phase transitions in quantum low-dimensional antiferromagnetic models. Our research activity was steadily aimed to the understanding of experimental observations.
We present numerical results for an $S=1/2$ Heisenberg antiferromagnet on a inhomogeneous square lattice with tunable interaction between spins belonging to different plaquettes. Employing Quantum Monte Carlo, we significantly improve on previous results for the the critical point separating singlet-disordered and Néel-ordered phases, and obtain an estimate for the critical exponent $ν$ consistent with the three-dimensional classical Heisenberg universality class. Additionally, we show that a fairly accurate result for the critical point can be obtained from a Contractor Renormalization (CORE)…
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Low energy spectrum of the S=1 kagomé Heisenberg antiferromagnet (KHAF) is studied by means of exact diagonalization and the cluster expansion. The magnitude of the energy gap of the magnetic excitation is consistent with the recent experimental observation for \mpynn. In contrast to the $S=1/2$ KHAF, the non-magnetic excitations have finite energy gap comparable to the magnetic excitation. As a physical picture of the ground state, the hexagon singlet solid state is proposed and verified by variational analysis.
Effects of randomness on the spin-1/2 and 1 antiferromagnetic Heisenberg chains are studied using the quantum Monte Carlo method with the continuous-time loop algorithm. We precisely calculated the uniform susceptibility, string order parameter, spatial and temporal correlation length, and the dynamical exponent, and obtained a phase diagram. The generalization of the continuous-time loop algorithm for the systems with higher-S spins is also presented.
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In an extensive computational experiment, we test Polyakov's conjecture that under certain circumstances an isotropic Heisenberg model can develop algebraic spin correlations. We demonstrate the emergence of a multi-spin $\text{U(1)}$ order parameter in a Heisenberg antiferromagnet on interpenetrating honeycomb and triangular lattices. The correlations of this relative phase angle are observed to decay algebraically at intermediate temperatures in an extended critical phase. Using finite-size scaling, we show that both phase transitions are of the Berezinskii-Kosterlitz-Thouless type and at lo…
We present thermodynamic measurements of various physical observables of the two dimensional S=1/2 isotropic quantum Heisenberg antiferromagnet on a square lattice, obtained by quantum Monte Carlo. In particular we have been able to measure the infinite volume limit of the uniform susceptibility up to the inverse temperature beta=40, the analysis of which reveals the correct asymptotic behavior in excellent agreement with the prediction of chiral perturbation theory. The controversy over the existence of a crossover from quantum critical to renormalized classical regime is resolved.
We obtain a quantum dimer model (QDM) containing a Rokhsar-Kivelson (RK) point expressed by spin-1/2 Heisenberg antiferromagnets on a diamond-like decorated square lattice. This lattice has macroscopically degenerated nonmagnetic ground states, which are equivalent to the Hilbert space of a square-lattice QDM. Then, a square-lattice QDM containing the RK point as a second-order effective Hamiltonian is obtained by introducing further neighbor couplings as perturbation. Our model can provide a new method for the experimental realization of a resonating valence bond state in the QDM.
The magnetization process of the S=1 and 1/2 kagome Heisenberg antiferromagnet is studied by means of the numerical exact diagonalization method. It is found that the magnetization curve at zero temperature has a plateau at 1/3 of the full magnetization. In the presence of $\sqrt{3} \times \sqrt{3}$ lattice distortion, this plateau is enhanced and eventually the ferrimagnetic state is realized. There also appear the minor plateaux above the main plateau. The physical origin of these phenomena is discussed.
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The S=1/2 Heisenberg bilayer antiferromagnet with randomly removed inter-layer dimers is studied using quantum Monte Carlo simulations. A zero-temperature multi-critical point (p*,g*) at the classical percolation density p=p* and inter-layer coupling g* approximately 0.16 is demonstrated. The quantum critical exponents of the percolating cluster are determined using finite-size scaling. It is argued that the associated finite-temperature quantum critical regime extends to zero inter-layer coupling and could be relevant for antiferromagnetic cuprates doped with non-magnetic impurities.
We calculate the ground-state energy of one and two-dimensional spatially inhomogeneous antiferromagnetic Heisenberg models for spins 1/2, 1, 3/2 and 2. Our calculations become possible as a consequence of the recent formulation of density-functional theory for Heisenberg models. The method is similar to spin-density-functional theory, but employs a local-density-type approximation designed specifically for the Heisenberg model, allowing us to explore parameter regimes that are hard to access by traditional methods, and to consider complications that are important specifically for nanomagnetic…
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The magnetization process of the spin-S Heisenberg antiferromagnet on the kagome lattice is studied by the numerical-diagonalization method. Our numerical-diagonalization data for small finite-size clusters with S=1, 3/2, 2, and 5/2 suggest that a magnetization plateau appears at one-third of the height of the saturation in the magnetization process irrespective of S. We discuss the S dependences of the edge fields and the width of the plateau in comparison with recent results obtained by real-space perturbation theory.
We study the system size dependence of the singlet-triplet excitation gap in the $S=1/2$ kagome-lattice Heisenberg antiferromagnet by numerical diagonalization. We successfully obtain a new result of a cluster of 42 sites. The two sequences of gaps of systems with even-number sites and that with odd-number sites are separately analyzed. Careful examination clarifies that there is no contradiction when we consider the system to be gapless.
We present an analysis of high precision Monte Carlo data for the two dimensional S=1/2 quantum Heisenberg antiferromagnet up to $ξ= 95.7(3)$ obtained by the continuous time version of the loop algorithm. Our data are in good agreement with a prediction of the recent theory (Phys. Rev. Lett. vol. 77, 3439 (1996)) in very high temperature regime, but they strongly disagree with it in the low temperature regime.
We exactly evaluate the third neighbor correlator <S_j^z S_{j+3}^z> and all the possible non-zero correlators <S^{alpha}_j S^{beta}_{j+1} S^{gamma}_{j+2} S^{delta}_{j+3}> of the spin-1/2 Heisenberg $XXX$ antiferromagnet in the ground state without magnetic field. All the correlators are expressed in terms of certain combinations of logarithm ln2, the Riemann zeta function zeta(3), zeta(5) with rational coefficients. The results accurately coincide with the numerical ones obtained by the density-matrix renormalization group method and the numerical diagonalization.
