Magnetic field induced quantum phases in a tensor network study of Kitaev magnets.

Recent discovery of the half quantized thermal Hall conductivity in [Formula: see text]-RuCl[Formula: see text], a candidate material for the Kitaev spin liquid, suggests the presence of a highly entangled quantum state in external magnetic fields. This field induced phase appears between the low field zig-zag magnetic order and the high field polarized state. Motivated by this experiment, we study possible field induced quantum phases in theoretical models of the Kitaev magnets, using the two dimensional tensor network approach or infinite tensor product states. We find various quantum ground states in addition to the chiral Kitaev spin liquid occupying a small area in the phase diagram. They form a band of emergent quantum phases in an intermediate window of external magnetic fields, somewhat reminiscent of the experiment. We discuss the implications of these results in view of the experiment and previous theoretical studies.

Thermal-transport studies of kagomé antiferromagnets.

Searching for the ground state of a kagomé Heisenberg antiferromagnet (KHA) has been one of the central issues of condensed-matter physics, because the KHA is expected to host spin-liquid phases with exotic elementary excitations. Here, we show our longitudinal ([Formula: see text]) and transverse ([Formula: see text]) thermal conductivities measurements of the two kagomé materials, volborthite and Ca kapellasite. Although magnetic orders appear at temperatures much lower than the antiferromagnetic energy scale in both materials, the nature of spin liquids can be captured above the transition temperatures. The temperature and field dependence of [Formula: see text] is analyzed by spin and phonon contributions, and large sample variations of the spin contribution are found in volborthite. Clear changes in [Formula: see text] are observed at the multiple magnetic transitions in volborthite, showing different magnetic thermal conduction in different magnetic structures. These magnetic contributions are not clearly observed in low-[Formula: see text] crystals of volborthite, and are almost absent in Ca kapellasite, showing the high sensitivity of the magnetic excitation in [Formula: see text] to the defects in crystals. On the other hand, a clear thermal Hall signal has been observed in the lowest-[Formula: see text] crystal of volborthite and in Ca kapellasite. Remarkably, both the temperature dependence and the magnitude of [Formula: see text] of volborthite are found to be very similar to those of Ca kapellasite, despite of about an order of magnitude difference in [Formula: see text] We find that [Formula: see text] of both compounds is well reproduced, both qualitatively and quantitatively, by spin excitations described by the Schwinger-boson mean-field theory applied to KHA with the Dzyaloshinskii-Moriya interaction. This excellent agreement demonstrates not only that the thermal Hall effect in these kagomé antiferromagnets is caused by spins in the spin liquid phase, but also that the elementary excitations of this spin liquid phase are well described by the bosonic spin excitations.

Entropy Governed by the Absorbing State of Directed Percolation.

We investigate the informational aspect of (1+1)-dimensional directed percolation, a canonical model of a nonequilibrium continuous transition to a phase dominated by a single special state called the "absorbing" state. Using a tensor network scheme, we numerically calculate the time evolution of state probability distribution of directed percolation. We find a universal relaxation of Rényi entropy at the absorbing phase transition point as well as a new singularity in the active phase, slightly but distinctly away from the absorbing transition point. At the new singular point, the second-order Rényi entropy has a clear cusp. There we also detect a singular behavior of "entanglement entropy," defined by regarding the probability distribution as a wave function. The entanglement entropy vanishes below the singular point and stays finite above. We confirm that the absorbing state, though its occurrence is exponentially rare in the active phase, is responsible for these phenomena. This interpretation provides us with a unified understanding of time evolution of the Rényi entropy at the critical point as well as in the active phase.

Gapless Kitaev Spin Liquid to Classical String Gas through Tensor Networks.

We provide a framework for understanding the gapless Kitaev spin liquid (KSL) in the language of the tensor network (TN). Without introducing a Majorana fermion, most of the features of the KSL, including the symmetries, gauge structure, criticality, and vortex freeness, are explained in a compact TN representation. Our construction reveals a hidden string gas structure of the KSL. With only two variational parameters to adjust, we obtain an accurate KSL Ansatz with the bond dimension D=8 in a compact form, where the energy is about 0.007% higher than the exact one.

Spin Thermal Hall Conductivity of a Kagome Antiferromagnet.

A clear thermal Hall signal (κ_{xy}) was observed in the spin-liquid phase of the S=1/2 kagome antiferromagnet Ca kapellasite [CaCu_{3}(OH)_{6}Cl_{2}·0.6H_{2}O]. We found that κ_{xy} is well reproduced, both qualitatively and quantitatively, using the Schwinger-boson mean-field theory with the Dzyaloshinskii-Moriya interaction of D/J∼0.1. In particular, κ_{xy} values of Ca kapellasite and those of another kagome antiferromagnet, volborthite, converge to one single curve in simulations modeled using Schwinger bosons, indicating a common temperature dependence of κ_{xy} for the spins of a kagome antiferromagnet.

Tensor renormalization group with randomized singular value decomposition.

An algorithm of the tensor renormalization group is proposed based on a randomized algorithm for singular value decomposition. Our algorithm is applicable to a broad range of two-dimensional classical models. In the case of a square lattice, its computational complexity and memory usage are proportional to the fifth and the third power of the bond dimension, respectively, whereas those of the conventional implementation are of the sixth and the fourth power. The oversampling parameter larger than the bond dimension is sufficient to reproduce the same result as full singular value decomposition even at the critical point of the two-dimensional Ising model.

Parallelized quantum Monte Carlo algorithm with nonlocal worm updates.

Based on the worm algorithm in the path-integral representation, we propose a general quantum Monte Carlo algorithm suitable for parallelizing on a distributed-memory computer by domain decomposition. Of particular importance is its application to large lattice systems of bosons and spins. A large number of worms are introduced and its population is controlled by a fictitious transverse field. For a benchmark, we study the size dependence of the Bose-condensation order parameter of the hard-core Bose-Hubbard model with L×L×ßt=10240×10240×16, using 3200 computing cores, which shows good parallelization efficiency.

Validity of projected Gross-Pitaevskii simulation: comparison with quantum Monte Carlo.

We examine the validity of the projected Gross-Pitaevskii simulation by taking the two-dimensional homogeneous bosonic system as an example. The long-distance behaviors of the correlation function and equilibrium temperatures show good agreement with those of the quantum Monte Carlo calculations below temperatures near the Kosterlitz-Thouless transition. We find that in the projected Gross-Pitaevskii description, one needs to estimate the optimal wave-number cutoff in temperature. In the well-described region, the projected Gross-Pitaevskii equation presents reliable predictions for the long-wave bosonic components.

Commensurate supersolid of three-dimensional lattice bosons.

Using an unbiased quantum Monte Carlo method, we obtain convincing evidence of the existence of a checkerboard supersolid at a commensurate filling factor 1/2 (a commensurate supersolid) in the soft-core Bose-Hubbard model with nearest-neighbor repulsions on a cubic lattice. In conventional cases, supersolids are realized at incommensurate filling factors by a doped-defect-condensation mechanism, where particles (holes) doped into a perfect crystal act as interstitials (vacancies) and delocalize in the crystal order. However, in the model, a supersolid state is stabilized even at the commensurate filling factor 1/2 without doping. By performing grand canonical simulations, we obtain a ground-state phase diagram that suggests the existence of a supersolid at a commensurate filling. To obtain direct evidence of the commensurate supersolid, we next perform simulations in canonical ensembles at a particle density ρ=1/2 and exclude the possibility of phase separation. From the obtained snapshots, we discuss its microscopic structure and observe that interstitial-vacancy pairs are unbound in the crystal order.

Finite-size scaling for quantum criticality above the upper critical dimension: Superfluid-Mott-insulator transition in three dimensions.

The validity of modified finite-size scaling above the upper critical dimension is demonstrated for the quantum phase transition whose dynamical critical exponent is z=2. We consider the N -component Bose-Hubbard model, which is exactly solvable and exhibits mean-field type critical phenomena in the large- N limit. The modified finite-size scaling holds exactly in that limit. However, the usual procedure, taking the large system-size limit with fixed temperature, does not lead to the expected (and correct) mean-field critical behavior because of the limited range of applicability of the finite-size scaling form. By quantum Monte Carlo simulation, it is shown that the modified finite-size scaling holds in the case of N=1.

Direct mapping of the finite temperature phase diagram of strongly correlated quantum models.

We propose a general method for obtaining the finite temperature phase diagram of strongly correlated quantum models emulated by optical lattice experiments using only the density profile of atoms in the trap. We illustrate the procedure explicitly for the Bose-Hubbard model by using "exact" quantum Monte Carlo simulations in a trap with up to 10(6) bosons. We show that kinks in the local compressibility, arising from critical fluctuations, demarcate the boundaries between superfluid and normal phases in the trap. The temperature of the bosons in the optical lattice is determined from the density profile at the edge. Our method can be applied to other phase transitions even when reliable numerical results are not available.

Quantum Monte Carlo method for the Bose-Hubbard model with harmonic confining potential.

We study the Bose-Hubbard model with an external harmonic field, which is effective for modeling a cold atomic Bose gas trapped in an optical lattice. We modify the directed-loop algorithm to simulate large systems efficiently. As a demonstration we carry out the simulation of a system consisting of 1. 8 x 10{5} particles on a 64{3} lattice. These numbers are comparable to those in the pioneering experimental work by Greiner [Nature (London) 415, 39 (2002)]. Furthermore, we observe coherence between two superfluid spheres separated by a Mott insulator region in a "wedding-cake" structure.

Modification of directed-loop algorithm for continuous space simulation of bosonic systems.

We modify the directed-loop algorithm (DLA) to solve the problem that typically arises from large on-site interaction. The large on-site interaction is inevitable when one tries to simulate a Bose gas system in continuum by discretizing the space with small lattice spacings. While the efficiency of a straightforward application of DLA decreases as the mesh becomes finer, the performance of the new method does not depend on it except for the trivial factor due to the increase in the number of lattice points.

Ground states of the SU(N) Heisenberg model.

The SU(N) Heisenberg model with various single-row representations is investigated by quantum Monte Carlo simulations. While the zero-temperature phase boundary agrees qualitatively with the theoretical predictions based on the 1/N expansion, some unexpected features are also observed. For N> or =5 with the fundamental representation, for example, it is suggested that the ground states possess exact or approximate U(1) degeneracy. In addition, for the representation of Young tableau with more than one column, the ground state shows no valence-bond-solid order even at N greater than the threshold value.

Quantum Monte Carlo algorithm for softcore boson systems.

An efficient quantum Monte Carlo algorithm for the simulation of bosonic systems on a lattice in a grand canonical ensemble is proposed. It is based on the mapping of bosonic models to the spin models in the limit of the infinite total spin quantum number. It is demonstrated how this limit may be taken explicitly in the algorithm, eliminating the systematic errors. The efficiency of the algorithm is examined for the noninteracting lattice boson model and compared with the stochastic series expansion method with the heat-bath-type scattering probability of the random walker.

Néel and Spin-Peierls ground states of two-dimensional SU(N) quantum antiferromagnets.

The two-dimensional SU(N) quantum antiferromagnet, a generalization of the quantum Heisenberg model, is investigated by quantum Monte Carlo simulations. The ground state for Nor=5 with broken lattice translational invariance. Our computation of the magnetization and the dimerization order parameter shows the absence of the intermediate spin-liquid phase.

Broad histogram relation for the bond number and its applications.

We discuss Monte Carlo methods based on the cluster (graph) representation for spin models. We derive a rigorous broad histogram relation (BHR) for the bond number; a counterpart for the energy was derived by Oliveira previously. A Monte Carlo dynamics based on the number of potential moves for the bond number is proposed. We show the efficiency of the BHR for the bond number in calculating the density of states and other physical quantities.

Combination of improved multibondic method and the Wang-Landau method.

We propose a method for Monte Carlo simulation of statistical physical models with discretized energy. The method is based on several ideas including the cluster algorithm, the multicanonical Monte Carlo method and its acceleration proposed recently by Wang and Landau. As in the multibondic ensemble method proposed by Janke and Kappler, the present algorithm performs a random walk in the space of the bond population to yield the state density as a function of the bond number. A test on the Ising model shows that the number of Monte Carlo sweeps required of the present method for obtaining the density of state with a given accuracy is proportional to the system size, whereas it is proportional to the system size squared for other conventional methods. In addition, the method shows a better performance than the original Wang-Landau method in measurement of physical quantities.

Coarse-grained loop algorithms for Monte Carlo simulation of quantum spin systems.

Recently, Syljuåsen and Sandvik [Phys. Rev. E. (to be published)] proposed a new framework for constructing algorithms of quantum Monte Carlo simulation. While it includes new classes of powerful algorithms, it is not straightforward to find an efficient algorithm for a given model. Based on their framework, we propose an algorithm that is a natural extension of the conventional loop algorithm with the split-spin representation. A complete table of the vertex density and the worm-scattering probability is presented for the general XXZ model of an arbitrary S with a uniform magnetic field.