ENCORE: An Extended Contractor Renormalization algorithm

Contractor renormalization (CORE) is a real-space renormalization-group method to derive effective Hamiltionians for microscopic models. The original CORE method is based on a real-space decomposition of the lattice into small blocks and the effective degrees of freedom on the lattice are tensor products of those on the small blocks. We present an extension of the CORE method that overcomes this restriction. Our generalization allows the application of CORE to derive arbitrary effective models whose Hilbert space is not just a tensor product of local degrees of freedom. The method is especially well suited to search for microscopic models to emulate low-energy exotic models and can guide the design of quantum devices.Comment: 5 pages, 4 figure

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

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

Dynamical mean field solution of the Bose-Hubbard model

We present the effective action and self-consistency equations for the bosonic dynamical mean field (B-DMFT) approximation to the bosonic Hubbard model and show that it provides remarkably accurate phase diagrams and correlation functions. To solve the bosonic dynamical mean field equations we use a continuous-time Monte Carlo method for bosonic impurity models based on a diagrammatic expansion in the hybridization and condensate coupling. This method is readily generalized to bosonic mixtures, spinful bosons, and Bose-Fermi mixtures.Comment: 10 pages, 3 figures. includes supplementary materia

The Two-Dimensional S=1 Quantum Heisenberg Antiferromagnet at Finite Temperatures

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.Comment: 4 Pages, 1 table, 4 figure

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

Susceptibility of the 2D S=1/2 Heisenberg antiferromagnet with an impurity

We use a quantum Monte Carlo method (stochastic series expansion) to study the effects of a magnetic or nonmagnetic impurity on the magnetic susceptibility of the two-dimensional Heisenberg antiferromagnet. At low temperatures, we find a log-divergent contribution to the transverse susceptibility. We also introduce an effective few-spin model that can quantitatively capture the differences between magnetic and nonmagnetic impurities at high and intermediate temperatures.Comment: 5 pages, 4 figures, v2: Updated data in figures, minor changes in text, v3: Final version, cosmetic change

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