We study the phase ordering dynamics of the classical antiferromagnetic ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime (${J}_{2}/{J}_{1}>1/2$). While thermal fluctuations preclude any long-range magnetic order at finite temperatures, the system exhibits a long-range spin-driven nematic phase at low temperatures. The transition into the nematic phase is further shown to belong to the two-dimensional Ising universality class based on the critical exponents near the phase transition. Our large-scale stochastic Landau-Lifshitz-Gilbert simulations find a two-stage phase ordering when the system is quenched from a high-temperature paramagnetic state into the nematic phase. In the early stage, collinear alignments of spins lead to a locally saturated Ising-nematic order. Once domains of well-defined Ising order are developed, the late-stage relaxation is dominated by curvature-driven domain coarsening, as described by the Allen-Cahn equation. The characteristic size of Ising-nematic domains scales as the square root of time, similar to the kinetic Ising model described by the time-dependent Ginzburg-Landau theory. Our results confirm that the late-stage ordering kinetics of the spin-driven nematic, which is a vestigial order of the frustrated Heisenberg model, belongs to the dynamical universality class of a nonconserved Ising order. Interestingly, the system shows no violation of the superuniversality hypothesis under weak bond disorder. The dynamic scaling invariance is preserved in the presence of weak bond disorder. We also discuss possible applications of our results to materials for which vestigial Ising-nematic order is realized.
We study the phase ordering dynamics of the classical antiferromagnetic J1\ensuremath-J2 (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime (J2/J1>1/2). While thermal fluctuations preclude any long-range magnetic order at finite temperatures, the system exhibits a long-range spin-driven nematic phase at low temperatures. The transition into the nematic phase is further shown to belong to the two-dimensional Ising universality class based on the critical exponents near the phase transition. Our large-scale stochastic Landau-Lifshitz-Gilbert simulations find a two-stage phase ordering when the system is quenched from a high-temperature paramagnetic state into the nematic phase. In the early stage, collinear alignments of spins lead to a locally saturated Ising-nematic order. Once domains of well-defined Ising order are developed, the late-stage relaxation is dominated by curvature-driven domain coarsening, as described by the Allen-Cahn equation. The characteristic size of Ising-nematic domains scales as the square root of time, similar to the kinetic Ising model described by the time-dependent Ginzburg-Landau theory. Our results confirm that the late-stage ordering kinetics of the spin-driven nematic, which is a vestigial order of the frustrated Heisenberg model, belongs to the dynamical universality class of a nonconserved Ising order. Interestingly, the system shows no violation of the superuniversality hypothesis under weak bond disorder. The dynamic scaling invariance is preserved in the presence of weak bond disorder. We also discuss possible applications of our results to materials for which vestigial Ising-nematic order is realized.
In this work the ordering processes in classical frustrated Ising models and the ground-state behavior of frustrated quantum spin models are investigated. In the first part the phase transition from a high-temperature paramagnetic phase to a antiferromagnetic ground state is analyzed for the square-lattice Ising model with competing antiferromagnetic interactions between nearest- and next-nearest-neighbor spins. In the case of spatially isotropic interactions the phase transition to a collinear state is of special interest. Using Monte-Carlo simulations on finite lattices as well as field-theoretical methods for the continuous model it is shown that depending on the frustration three different sectors can be distinguished that show (i) Ising-universal behavior (ii) Ashkin-Teller-like non-universal behavior (varying critical exponents) and (iii) non-critical first-order behavior. For spatially anisotropic interactions the emergence of an intermediate incommensurate phase is verified by means of Monte-Carlo simulations which has been predicted by earlier mean-field calculations. The nature of this phase is studied analyzing spin-spin correlation functions and its ordering wave-vector reveals a strong temperature and size dependence. In the second part the influence of quantum fluctuations on classical antiferromagnetic ground states are investigated in anisotropic quantum spin-1/2 Heisenberg models with competing interactions. Using quantum Monte-Carlo simulations, exact diagonalization and perturbation theory the ground-state phase diagrams are calculated for a square lattice with nearest- and next-nearest-neighbor interactions and a honeycomb lattice with up to third-nearest-neighbor interactions whereby the fluctuations are chosen to be non-frustrating. For both cases the stability regions of classical magnetic states are identified and an intermediate phase is detected that shows no sign of long-range magnetic order. Further calculations also rule out valence-bond-crystal or topological order for this state, thus a quantum disordered ground state is stabilized in these models.
Meandering stripes in the frustrated J1-J2 Ising model on the honeycomb lattice
We study the frustrated J1-J2 Ising model on the honeycomb lattice with ferromagnetic nearest-neighbor couplings fixed at J1=1 and strong antiferromagnetic next-nearest-neighbor interactions, i.e., J2≤−1/4. Little is known for this range of J2, whereas for less negative values of J2 the system orders ferromagnetically at low temperatures and appears to remain in the Ising universality class. In previous work it was shown that the model has a largely degenerate ground state, and it was conjectured that there is some kind of phase transition. We introduce a complex-valued nematic order parameter, which can differentiate between the high-temperature paramagnetic phase and the observed partially-disordered stripe phase at lower temperatures. Configurations in this phase consist of stripes of spins parallel with respect to one lattice direction, which collectively meander along the remaining two, producing partially disordered ground states. The sharp peaks in the specific heat observed in earlier work only appear when using periodic boundary conditions and are absent for free boundaries. Additionally, we reveal a striking dependence of the behavior on the aspect ratio of the considered samples. Ultimately, even a careful finite-size scaling analysis for J2=−0.5 and J2=−1 is unable to clearly discern between a crossover without any singularities and some form of continuous transition, including the possibility of an infinite-order transition of the Berezinskii-Kosterlitz-Thouless (BKT) type. For J2=−1/4 we find that the system remains disordered at all temperatures and that it exhibits a finite ground-state entropy per site, for which our simulations provide the accurate asymptotic estimate S(T=0)/N=0.23096093(14) in the thermodynamic limit N→∞.
We analyze the phase transition of the frustrated J1-J2 Ising model with antiferromagnetic nearest- and strong next-nearest-neighbor interactions on the square lattice. Using extensive Monte Carlo simulations we show that the nature of the phase transition for $1/2<{J}_{2}/{J}_{1}\ensuremath{\lesssim}1$ is not of the weakly universal type---as commonly believed---but we conclude from the clearly doubly peaked structure of the energy histograms that the transition is of weak first order. Motivated by these results, we analyze the phase transitions via field-theoretic methods; i.e., we calculate the central charge of the underlying field theory via transfer-matrix techniques and present, furthermore, a field-theoretic discussion on the phase-transition behavior of the model. Starting from the conformally invariant fixed point of two decoupled critical Ising models (J1=0), we calculate the effect of the nearest-neighbor coupling term perturbatively using operator product expansions. As an effective action we obtain the Ashkin-Teller model.
We present the zero-temperature phase diagram of a Heisenberg antiferromagnet on a frustrated triangular lattice with nearest-neighbor (J1) and next-nearest-neighbor (J2) interactions, in a magnetic field. We show that the classical model has an accidental degeneracy for all J2/J1 and all fields, but the degeneracy is lifted by quantum fluctuations. We show that at large spin S, for J2/J1<1/8, quantum fluctuations select the same sequence of three sublattice co-planar states in a field as for J2=0, and for 1/8<J2/J1<1, they select the canted stripe state for all nonzero fields. The transition between the two states is first order in all fields, with the hysteresis width set by quantum fluctuations. We study the model with arbitrary S, including S=1/2, near the saturation field by exploring the fact that near saturation the density of bosons is small for all S. We show that for S>1, the transition remains first order, with a finite hysteresis width, but for S=1/2 and, possibly, S=1, there appears a new intermediate phase without a quasiclassical long-range order.
Frustrated spin systems exhibit a wide range of phenomena such as novel phases, residual entropy and glassy dynamics. In contrast to the usual assumption of universality, microscopic details such as the underlying lattice structure often play a crucial role in these systems. In this dissertation the frustrated J1-J2 Ising model on the honeycomb lattice is considered. Earlier work shows that the coupling ratio R = J2 /|J1 | = −1/4 separates regions of two different ground states. Above this threshold the ground state is (anti-)ferromagnetically ordered for (anti-)ferromagnetic J1 , whereas below it infinitely many states of minimal energy exist. A recent Monte Carlo (MC) study by Žukovič finds a continuous transition with Ising critical exponents for R ≥ −0.2, leaving open the question of criticality for −1/4 < R < −0.2, for which the study was obfuscated by the presence of strong metastability. The regime with the highly degenerate ground states (R < −1/4), on the other hand, is characterized by feature-rich specific heat curves, and slow low-temperature dynamics reminiscent of spin glasses, although there is no disorder in this system. Prior to this work, no order parameter has been identified, and there is no clear understanding of its potentially critical behavior. Here, the question of criticality for −1/4 < R < −0.2 is addressed, and Ising universality is found for lower values of R, namely, at least for R ≥ −0.23. This result is achieved by carrying out finite-size scaling analyses of response functions like the magnetic susceptibility, and of the complex partition function zeros. In both cases, the underlying numerical data was generated using population annealing (PA) MC, a framework devised for spin glasses but generally applicable to systems with metastability. Furthermore, the region of degenerate ground states is studied using different boundary conditions, which are found to strongly affect the thermodynamic observations. A broken symmetry at zero temperature is identified, which can be quantified using a complex nematic order parameter. The MC data are consistent with a continuous symmetry-breaking transition. However, due to the limited system sizes that could be studied, and the presence of strong finite-size effects, one cannot rule out a higher-order transition or a cross-over without any singularities. In the process of studying this system, also the understanding of the PA framework was further developed. Specifically, the role of the resampling step in the algorithm was investigated. While it is crucial for efficient equilibration, no benefit is found in noisier resampling schemes such as the multinomial resampling method. Instead, two resampling schemes, which have the lowest sampling variance, are identified as preferential.:1 Introduction I Background and Methodology 2 Background 2.1 Fundamentals of Statistical Mechanics 2.1.1 Equilibrium ensembles 2.1.2 Phase transitions and critical behavior 2.1.3 Common spin models 2.2 Frustrated Spin Models 2.2.1 Frustrated J1-J2 Ising model on the square lattice 2.2.2 Gonihedric model in two dimensions 2.3 Monte Carlo Simulations 2.3.1 Fundamentals 2.3.2 Autocorrelation and error bars in MCMC time series 2.3.3 Possible implementations 2.3.4 Generalized ensemble methods 3 Methodology 3.1 General Algorithmic Design 3.2 Population Annealing 3.2.1 Algorithm 3.2.2 Assessing population annealing performance 3.2.3 Adaptive temperature steps 3.2.4 Weighted averages 3.2.5 Population annealing and first-order transitions 3.3 Estimating Critical Exponents from Finite Systems 3.3.1 Standard finite size scaling 3.3.2 Complex partition function zeros II Results 4 Algorithmic Improvements and Extensions to the Population Annealing Framework 4.1 Resampling Step in Population Annealing 4.1.1 Conceptual overview 4.1.2 Possible resampling methods 4.1.3 Benchmarking different resampling methods 4.1.4 Simulation results 4.1.5 PA simulations with finite populations in the limit of perfect equilibration 4.1.6 PA simulations in the limit of infinite populations and perfect equilibration 4.1.7 Conclusion 4.2 Using Population Annealing on Many Computing Nodes 4.2.1 Literature overview and different rebalancing schemes 4.2.2 Simulations of simulations 4.2.3 Conclusion and outlook 4.3 Adaptive Number of Spin Updates in Population Annealing 4.4 Microcanonical Population Annealing 5 The Frustrated J1-J2 Ising Model on the Honeycomb Lattice 5.1 Overview 5.2 Regime of Ising Universality Class 5.2.1 Finite-size scaling analysis 5.2.2 Energy barriers 5.2.3 Exploring the complex partition function zeros 5.3 Finite Ground State Entropy per Spin for J2/|J1| = −1/4 5.4 Highly Degenerate Striped Phase for J2/|J1| < −1/4 5.4.1 Boundary conditions 5.4.2 Energy minimization and ground states 5.4.3 Topological defects 5.4.4 Observables 5.4.5 Simulation details 5.4.6 Simulation results for R = −0.5 5.4.7 Simulation results for R = −1 5.4.8 Discussion 5.4.9 Conclusion and outlook 6 Parallel tempering and its infinite-swap limit 6.1 Formalism 6.2 Details on Implementation 6.3 Numerical Results from INS-PT Simulations 6.3.1 One-dimensional Ising model 6.3.2 Two-dimensional Ising model 6.3.3 q-state Potts model 6.3.4 Lennard-Jones clusters 6.4 Discussion 7 Conclusions and outlook Bibliography Appendices A Algorithmic Improvements and Extensions to the Population Annealing framework: Further details A.1 Generating correlated energy time series B J1-J2 honeycomb Ising model: Further plots and details B.1 GPU domain decomposition B.2 Finite-size scaling using Metropolis population annealing B.3 The decoupled antiferromagnet limit B.4 Zero temperature value of the nematic order parameter B.5 Percolation properties for J2 = −0.5 B.6 Binder parameter of the one-dimensional Ising model C Application for Ethical Approval
We study the S=1 square lattice Heisenberg antiferromagnet with spatially anisotropic nearest-neighbor couplings J1x and J1y frustrated by a next-nearest-neighbor coupling J2 numerically using the density-matrix renormalization-group (DMRG) method and analytically employing the Schwinger-Boson mean-field theory (SBMFT). Up to relatively strong values of the anisotropy, within both methods we find quantum fluctuations to stabilize the N\'eel-ordered state above the classically stable region. Whereas SBMFT suggests a fluctuation-induced first-order transition between the N\'eel state and a stripe antiferromagnet for $1/3\ensuremath{\le}{J}_{1x}/{J}_{1y}\ensuremath{\le}1$ and an intermediate paramagnetic region opening only for very strong anisotropy, the DMRG results clearly demonstrate that the two magnetically ordered phases are separated by a quantum-disordered region for all values of the anisotropy with the remarkable implication that the quantum paramagnetic phase of the spatially isotropic ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model is continuously connected to the limit of decoupled Haldane spin chains. Our findings indicate that for S=1 quantum fluctuations in strongly frustrated antiferromagnets are crucial and not correctly treated on the semiclassical level.