Modulated phases in a three-dimensional Maier-Saupe model with competing interactions

This work is dedicated to the study of the discrete version of the Maier-Saupe model in the presence of competing interactions. The competition between interactions favoring different orientational ordering produces a rich phase diagram including modulated phases. Using a mean-field approach and Monte Carlo simulations, we show that the proposed model exhibits isotropic and nematic phases and also a series of modulated phases that meet at a multicritical point, a Lifshitz point. Though the Monte Carlo and mean-field phase diagrams show some quantitative disagreements, the Monte Carlo simulations corroborate the general behavior found within the mean-field approximation.We thank P. Gomes, R. Kaul, G. Landi, M. Oliveira, R. Oliveira, and S. Salinas for useful discussions and suggestions. P.F.B. was supported by Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) and the Condensed Matter Theory Visitors Program at Boston University. N.X. and A.W.S. were funded in part by the NSF under Grant No. DMR-1410126. Some of the calculations were carried out on Boston University's Shared Computing Cluster. (Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP); Condensed Matter Theory Visitors Program at Boston University; DMR-1410126 - NSF)Accepted manuscrip

Striped phase in a quantum XY-model with ring exchange

We present quantum Monte Carlo results for a square-lattice S=1/2 XY-model with a standard nearest-neighbor coupling J and a four-spin ring exchange term K. Increasing K/J, we find that the ground state spin-stiffness vanishes at a critical point at which a spin gap opens and a striped bond-plaquette order emerges. At still higher K/J, this phase becomes unstable and the system develops a staggered magnetization. We discuss the quantum phase transitions between these phases.Comment: 4 pages, 4 figures. v2: only minor change

High-energy magnon dispersion and multi-magnon continuum in the two-dimensional Heisenberg antiferromagnet

We use quantum Monte Carlo simulations and numerical analytic continuation to study high-energy spin excitations in the two-dimensional S=1/2 Heisenberg antiferromagnet at low temperature. We present results for both the transverse and longitudinal dynamic spin structure factor S(q,w) at q=(pi,0) and (pi/2,pi/2). Linear spin-wave theory predicts no dispersion on the line connecting these momenta. Our calculations show that in fact the magnon energy at (pi,0) is 10% lower than at (pi/2,pi/2). We also discuss the transverse and longitudinal multi-magnon continua and their relevance to neutron scattering experiments.Comment: 4 page

Critical temperature and the transition from quantum to classical order parameter fluctuations in the three-dimensional Heisenberg antiferromagnet

We present results of extensive quantum Monte Carlo simulations of the three-dimensional (3D) S=1/2 Heisenberg antiferromagnet. Finite-size scaling of the spin stiffness and the sublattice magnetization gives the critical temperature Tc/J = 0.946 +/- 0.001. The critical behavior is consistent with the classical 3D Heisenberg universality class, as expected. We discuss the general nature of the transition from quantum mechanical to classical (thermal) order parameter fluctuations at a continuous Tc > 0 phase transition.Comment: 5 pages, Revtex, 4 PostScript figures include

Ground state of the random-bond spin-1 Heisenberg chain

Stochastic series expansion quantum Monte Carlo is used to study the ground state of the antiferromagnetic spin-1 Heisenberg chain with bond disorder. Typical spin- and string-correlations functions behave in accordance with real-space renormalization group predictions for the random-singlet phase. The average string-correlation function decays algebraically with an exponent of -0.378(6), in very good agreement with the prediction of $-(3-\sqrt{5})/2\simeq -0.382$, while the average spin-correlation function is found to decay with an exponent of about -1, quite different from the expected value of -2. By implementing the concept of directed loops for the spin-1 chain we show that autocorrelation times can be reduced by up to two orders of magnitude.Comment: 9 pages, 10 figure

Numerical Linked-Cluster Algorithms. I. Spin systems on square, triangular, and 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 kagome lattices. Results for several choices of clusters and extrapolations methods, that accelerate the convergence of NLC, 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.Comment: 14 pages, 16 figures, as publishe

A New Approach to Stochastic State selections in Quantum Spin Systems

We propose a new type of Monte Carlo approach in numerical studies of quantum systems. Introducing a probability function which determines whether a state in the vector space survives or not, we can evaluate expectation values of powers of the Hamiltonian from a small portion of the full vector space. This method is free from the negative sign problem because it is not based on importance sampling techniques. In this paper we describe our method and, in order to examine how effective it is, present numerical results on the 4x4, 6x6 and 8x8 Heisenberg spin one-half model. The results indicate that we can perform useful evaluations with limited computer resources. An attempt to estimate the lowest energy eigenvalue is also stated.Comment: 10 pages, 2 figures, 8 table

Time of flight observables and the formation of Mott domains of fermions and bosons on optical lattices

We study, using quantum Monte Carlo simulations, the energetics of the formation of Mott domains of fermions and bosons trapped on one-dimensional lattices. We show that, in both cases, the sum of kinetic and interaction energies exhibits minima when Mott domains appear in the trap. In addition, we examine the derivatives of the kinetic and interaction energies, and of their sum, which display clear signatures of the Mott transition. We discuss the relevance of these findings to time-of-flight experiments that could allow the detection of the metal--Mott-insulator transition in confined fermions on optical lattices, and support established results on the superfluid--Mott-insulator transition in confined bosons on optical lattices.Comment: 5 pages, 6 figures, published versio

Thermodynamics of a gas of deconfined bosonic spinons in two dimensions

We consider the quantum phase transition between a Neel antiferromagnet and a valence-bond solid (VBS) in a two-dimensional system of S=1/2 spins. Assuming that the excitations of the critical ground state are linearly dispersing deconfined spinons obeying Bose statistics, we derive expressions for the specific heat and the magnetic susceptibility at low temperature T. Comparing with quantum Monte Carlo results for the J-Q model, which is a candidate for a deconfined Neel-VBS transition, we find excellent agreement, including a previously noted logarithmic correction in the susceptibility. In our treatment, this is a direct consequence of a confinement length scale Lambda which is proportional to the correlation length xi raised to a non-trivial power; Lambda ~ xi^(1+a) ~1/T^(1+a), with a>0 (with a approximately 0.2 in the model).Comment: 4+ pages, 3 figures. v2: cosmetic changes onl

Specific heat of quasi-2D antiferromagnetic Heisenberg models with varying inter-planar couplings

We have used the stochastic series expansion (SSE) quantum Monte Carlo (QMC) method to study the three-dimensional (3D) antiferromagnetic Heisenberg model on cubic lattices with in-plane coupling J and varying inter-plane coupling J_perp < J. The specific heat curves exhibit a 3D ordering peak as well as a broad maximum arising from short-range 2D order. For J_perp << J, there is a clear separation of the two peaks. In the simulations, the contributions to the total specific heat from the ordering across and within the layers can be separated, and this enables us to study in detail the 3D peak around T_c (which otherwise typically is dominated by statistical noise). We find that the peak height decreases with decreasing J_perp, becoming nearly linear below J_perp = 0.2J. The relevance of these results to the lack of observed specific heat anomaly at the ordering transition of some quasi-2D antiferromagnets is discussed.Comment: 7 pages, 8 figure