Supersolid phase induced by correlated hopping in spin-1/2 frustrated quantum magnets

We show that correlated hopping of triplets, which is often the dominant source of kinetic energy in dimer-based frustrated quantum magnets, produces a remarkably strong tendency to form supersolid phases in a magnetic field. These phases are characterized by simultaneous modulation and ordering of the longitudinal and transverse magnetization respectively. Using Quantum Monte Carlo and a semiclassical approach for an effective hard-core boson model with nearest-neighbor repulsion on a square lattice, we prove in particular that a supersolid phase can exist even if the repulsion is not strong enough to stabilize an insulating phase at half-filling. Experimental implications for frustrated quantum antiferromagnets in a magnetic field at zero and finite temperature are discussed.Comment: 4 pages; 4 figures; published versio

Orbital Order Effect of Two-Dimensional Spin Gap System for CaV4O9

Effects of possible orbital order in magnetic properties of two-dimensional spin gap system for CaV$_4$O$_9$ are investigated theoretically. After analyzing experimental data, we show that single orbital models assumed in the literature are insufficient to reproduce the data. To understand the origin of the discrepancy, we assume that in $d^1$ state of V, $d_{xz}$ and $d_{yz}$ orbitals have substantial contributions in the lowest-energy atomic level which leads to a double-degeneracy. We study possible configurations of the orbital order. By exact diagonalization and perturbation expansion, we calculate the susceptibility, wavenumber dependence of low-lying excitations and equal-time spin-spin correlations which is related to integrated intensity of the neutron inelastic scattering. These quantities sensitively depend on the configuration of the orbital order. The calculated results for some configurations of the orbital order reproduce many experimental results much better than the previous single-orbital models. However some discrepancy still remains to completely reproduce all of the reported experimental results. To understand the origin of these discrepancies, we point out the possible importance of the partially occupied $d_{xy}$ orbital in addition to orbital order of partially filled $d_{xz}$ and $d_{yz}$ orbitals.Comment: 19 pages LATEX, 15 postscript figures, using jpsj.sty,to be published in J.Phys.Soc.Jpn. Vol.67 No.2 (1998

Mechanisms for Spin-Supersolidity in S=1/2 Spin-Dimer Antiferromagnets

Using perturbative expansions and the contractor renormalization (CORE) algorithm, we obtain effective hard-core bosonic Hamiltonians describing the low-energy physics of $S=1/2$ spin-dimer antiferromagnets known to display supersolid phases under an applied magnetic field. The resulting effective models are investigated by means of mean-field analysis and quantum Monte Carlo simulations. A "leapfrog mechanism", through means of which extra singlets delocalize in a checkerboard-solid environment via correlated hoppings, is unveiled that accounts for the supersolid behavior.Comment: 12 pages, 10 figure

Effect of Quantum Fluctuations on Magnetic Ordering in CaV3_3O7_7

We present a theoretical model for CaV$_3$O$_7$: the $1/4$-depleted square spin-$1/2$ Heisenberg model which includes both the nearest-neighbor coupling ($J$) and the next-nearest-neighbor coupling ($J'$), where $J$ and $J'$ are antiferromagnetic. Recent experiments of the neutron diffraction by Harashina et.al. report the magnetic ordering at low temperatures, which may be called as a stripe phase. It is shown that the observed spin structure is not stable in the classical theory. By employing the modified spin wave theory, we show that the stripe phase is stabilized by the quantum fluctuations for $J'/J > 0.69$. In CaV$_3$O$_7$, the coupling constants are estimated as $J \sim J'$ by comparing the theoretical and experimental results.Comment: submitted to J. Phys. Soc. Jp

Dynamics of the Wang-Landau algorithm and complexity of rare events for the three-dimensional bimodal Ising spin glass

We investigate the performance of flat-histogram methods based on a multicanonical ensemble and the Wang-Landau algorithm for the three-dimensional +/- J spin glass by measuring round-trip times in the energy range between the zero-temperature ground state and the state of highest energy. Strong sample-to-sample variations are found for fixed system size and the distribution of round-trip times follows a fat-tailed Frechet extremal value distribution. Rare events in the fat tails of these distributions corresponding to extremely slowly equilibrating spin glass realizations dominate the calculations of statistical averages. While the typical round-trip time scales exponential as expected for this NP-hard problem, we find that the average round-trip time is no longer well-defined for systems with N >= 8^3 spins. We relate the round-trip times for multicanonical sampling to intrinsic properties of the energy landscape and compare with the numerical effort needed by the genetic Cluster-Exact Approximation to calculate the exact ground state energies. For systems with N >= 8^3 spins the simulation of these rare events becomes increasingly hard. For N >= 14^3 there are samples where the Wang-Landau algorithm fails to find the true ground state within reasonable simulation times. We expect similar behavior for other algorithms based on multicanonical sampling.Comment: 9 pages, 12 figure

Universal critical temperature for Kosterlitz-Thouless transitions in bilayer quantum magnets

Recent experiments show that double layer quantum Hall systems may have a ground state with canted antiferromagnetic order. In the experimentally accessible vicinity of a quantum critical point, the order vanishes at a temperature T_{KT} = \kappa H, where H is the magnetic field and \kappa is a universal number determined by the interactions and Berry phases of the thermal excitations. We present quantum Monte Carlo simulations on a model spin system which support the universality of \kappa and determine its numerical value. This allows experimental tests of an intrinsically quantum-mechanical universal quantity, which is not also a property of a higher dimensional classical critical point.Comment: 5 pages, 4 figure

N\'eel 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 $N\le 4$ is found to be of the N\'eel type with broken SU(N) symmetry, whereas it is of the Spin-Peierls type for $N\ge 5$ with broken lattice translational invariance. No intermediate spin-liquid phase was observed in contrast to previous numerical simulations on smaller lattices [Santoro et al., Phys. Rev. Lett. {\bf 83} 3065 (1999)].Comment: 4 pages, 4 figure

Diffusion in the Continuous-Imaginary-Time Quantum World-Line Monte Carlo Simulations with Extended Ensembles

The dynamics of samples in the continuous-imaginary-time quantum world-line Monte Carlo simulations with extended ensembles are investigated. In the case of a conventional flat ensemble on the one-dimensional quantum S=1 bi-quadratic model, the asymmetric behavior of Monte Carlo samples appears in the diffusion process in the space of the number of vertices. We prove that a local diffusivity is asymptotically proportional to the number of vertices, and we demonstrate the asymmetric behavior in the flat ensemble case. On the basis of the asymptotic form, we propose the weight of an optimal ensemble as $1/\sqrt{n}$, where $n$ denotes the number of vertices in a sample. It is shown that the asymmetric behavior completely vanishes in the case of the proposed ensemble on the one-dimensional quantum S=1 bi-quadratic model.Comment: 4 pages, 2 figures, update a referenc

Finite-temperature effects on the superfluid Bose-Einstein condensation of confined ultracold atoms in three-dimensional optical lattices

We discuss the finite-temperature phase diagram in the three-dimensional Bose-Hubbard (BH) model in the strong correlation regime, relevant for Bose-Einstein condensates in optical lattices, by employing a quantum rotor approach. In systems with strong on site repulsive interactions, the rotor U(1) phase variable dual to the local boson density emerges as an important collective field. After establishing the connection between the rotor construction and the the on--site interaction in the BH model the robust effective action formalism is developed which allows us to study the superfluid phase transition in various temperature--interaction regimes

Quantum Monte Carlo Loop Algorithm for the t-J Model

We propose a generalization of the Quantum Monte Carlo loop algorithm to the t-J model by a mapping to three coupled six-vertex models. The autocorrelation times are reduced by orders of magnitude compared to the conventional local algorithms. The method is completely ergodic and can be formulated directly in continuous time. We introduce improved estimators for simulations with a local sign problem. Some first results of finite temperature simulations are presented for a t-J chain, a frustrated Heisenberg chain, and t-J ladder models.Comment: 22 pages, including 12 figures. RevTex v3.0, uses psf.te