arXiv subjects

M. Troyer

Publications and source records attributed to M. Troyer.

86 records · Page 5Linked to original sources

arXiv2001

Analytical and numerical study of hardcore bosons in two dimensions

We study various properties of bosons in two dimensions interacting only via onsite hardcore repulsion. In particular, we use the lattice spin-wave approximation to calculate the ground state energy, the density, the condensate density and the superfluid density in terms of the chemical potential. We also calculate the excitation spectrum, $ω({\bf k})$. In addition, we performed high precision numerical simulations using the stochastic series expansion algorithm. We find that the spin-wave results describe extremely well the numerical results over the {\it whole} density range $0\leq ρ\leq 1$. We also compare the lattice spin-wave results with continuum results obtained by summing the ladder diagrams at low density. We find that for $ρ\leq 0.1$ there is good agreement, and that the difference between the two methods vanishes as $ρ^2$ for $ρ\to 0$. This offers the possibility of obtaining precise continuum results by taking the continuum limit of the spin-wave results for all densities. Finaly, we studied numerically the finite temperature phase transition for the entire density range and compared with low density predictions.

cond-mat.supr-con↗

arXiv2001

Accessing the dynamics of large many-particle systems using Stochastic Series Expansion

The Stochastic Series Expansion method (SSE) is a Quantum Monte Carlo (QMC) technique working directly in the imaginary time continuum and thus avoiding "Trotter discretization" errors. Using a non-local "operator-loop update" it allows treating large quantum mechanical systems of many thousand sites. In this paper we first give a comprehensive review on SSE and present benchmark calculations of SSE's scaling behavior with system size and inverse temperature, and compare it to the loop algorithm, whose scaling is known to be one of the best of all QMC methods. Finally we introduce a new and efficient algorithm to measure Green's functions and thus dynamical properties within SSE.

cond-mat.str-el↗

arXiv2001

Nature of the quantum phase transitions in the two-dimensional hardcore boson model

We use two Quantum Monte Carlo algorithms to map out the phase diagram of the two-dimensional hardcore boson Hubbard model with near ($V_1$) and next near ($V_2$) neighbor repulsion. At half filling we find three phases: Superfluid (SF), checkerboard solid and striped solid depending on the relative values of $V_1$, $V_2$ and the kinetic energy. Doping away from half filling, the checkerboard solid undergoes phase separation: The superfluid and solid phases co-exist but not as a single thermodynamic phase. As a function of doping, the transition from the checkerboard solid is therefore first order. In contrast, doping the striped solid away from half filling instead produces a striped supersolid phase: Co-existence of density order with superfluidity as a single phase. One surprising result is that the entire line of transitions between the SF and checkerboard solid phases at half filling appears to exhibit dynamical O(3) symmetry restoration. The transitions appear to be in the same universality class as the special Heisenberg point even though this symmetry is explicitly broken by the $V_2$ interaction.

cond-mat.supr-con↗

arXiv2001

A Bosonic Model of Hole Pairs

We numerically investigate a bosonic representation for hole pairs on a two-leg t-J ladder where hard core bosons on a chain represent the hole pairs on the ladder. The interaction between hole pairs is obtained by fitting the density profile obtained with the effective model to the one obtained with the \tj model, taking into account the inner structure of the hole pair given by the hole-hole correlation function. For these interactions we calculate the Luttinger liquid parameter, which takes the universal value $K_ρ=1$ as half filling is approached, for values of the rung exchange $J'$ between strong coupling and the isotropic case. The long distance behavior of the hole-hole correlation function is also investigated. Starting from large $J'$, the correlation length first increases as expected, but diminishes significantly as $J'$ is reduced and bound holes sit mainly on adjacent rungs. As the isotropic case is approached, the correlation length increases again. This effect is related to the different kind of bonds in the region between the two holes of a hole pair when they move apart.

cond-mat↗

arXiv2000

Li$_2$VO(Si,Ge)O$_4$, a prototype of a two-dimensional frustrated quantum Heisenberg antiferromagnet

NMR and magnetization measurements in Li$_2$VOSiO$_4$ and Li$_2$VOGeO$_4$ are reported. The analysis of the susceptibility shows that both compounds are two-dimensional $S=1/2$ Heisenberg antiferromagnets on a square lattice with a sizeable frustration induced by the competition between the superexchange couplings $J_1$ along the sides of the square and $J_2$ along the diagonal. Li$_2$VOSiO$_4$ undergoes a low-temperature phase transition to a collinear order, as theoretically predicted for $J_2/J_1 > 0.5$. Just above the magnetic transition the degeneracy between the two collinear ground states is lifted by the onset of a structural distortion.

cond-mat.str-el↗

arXiv2000

Thermodynamics of Spin S = 1/2 Antiferromagnetic Uniform and Alternating-Exchange Heisenberg Chains

The magnetic susceptibility chi and specific heat C versus temperature T of the spin-1/2 antiferromagnetic alternating-exchange (J1 and J2) Heisenberg chain are studied for the entire range 0 \leq alpha \leq 1 of the alternation parameter alpha = J2/J1. For the uniform chain (alpha = 1), detailed comparisons of the high-accuracy chi(T) and C(T) Bethe ansatz data of Kluemper and Johnston are made with the asymptotically exact low-T field theory predictions of Lukyanov. QMC simulations and TMRG calculations of chi(alpha,T) are presented. From the low-T TMRG data, the spin gap Delta(alpha)/J1 is extracted for 0.8 \leq alpha \leq 0.995. High accuracy fits to all of the above numerical data are obtained. We examine in detail the theoretical predictions of Bulaevskii for chi(alpha,T) and compare them with our results. Our experimental chi(T) and C(T) data for NaV2O5 single crystals are modeled in detail. The chi(T) data above the spin dimerization temperature Tc = 34 K are not in agreement with the prediction for the uniform Heisenberg chain, but can be explained if there is a moderate ferromagnetic interchain coupling and/or if J changes with T. By fitting the chi(T) data, we obtain Delta(T = 0) = 103(2) K, alternation parameter delta(0) = (1 - alpha)/(1 + alpha) = 0.034(6) and average exchange constant J(0) = 640(80) K. The delta(T) and Delta(T) are derived from the data. A spin pseudogap with a large magnitude \approx 0.4 Delta(0) is consistently found just above Tc, which decreases with increasing T. Analysis of our C(T) data indicates that at Tc, at least 77% of the entropy change due to the transition at Tc and associated order parameter fluctuations arise from the lattice and/or charge degrees of freedom and less than 23% from the spin degrees of freedom.

cond-mat.str-el↗

arXiv2000

Magnetic Susceptibilities of Spin-1/2 Antiferromagnetic Heisenberg Ladders and Applications to Ladder Oxide Compounds

A comprehensive theoretical and experimental study is presented of the magnetic susceptibility versus temperature χ(T) of spin S = 1/2 two- and three-leg Heisenberg ladders and ladder oxide compounds. Extensive quantum Monte Carlo simulations of χ(T) were carried out for both isolated and coupled two-leg ladders with spatially anisotropic intraladder exchange. Accurate fits to these and related literature QMC data were obtained. We have also calculated the one- and two-magnon dispersion relations and the dynamical spin structure factor for anisotropic isolated 2 x 12 ladders. The exchange constants in the two-leg ladder compound SrCu2O3 are estimated from LDA+U calculations. We report the detailed crystal structure of SrCu2O3 and of the three-leg ladder compound Sr2Cu3O5. New experimental χ(T) data are reported for the two-leg ladder cuprates SrCu2O3 and LaCuO_{2.5}, and for the (nominally) two-leg ladder vanadates CaV2O5 and MgV2O5. The new and literature χ(T) data for these compounds and for Sr2Cu3O5 are modeled using our QMC χ(T) simulation fits, and the exchange coupling constants between the spins-1/2 are thereby estimated for each material. The surpisingly strong spatial anisotropy of the bilinear intraladder exchange constants in the cuprate compounds is discussed together with the results of other experiments sensitive to this anisotropy. Recent theoretical predictions are discussed including those which indicate that a four-spin cyclic exchange interaction within a Cu4 plaquette is important to determining the magnetic properties and which can significantly influence the exchange interactions estimated from χ(T) data assuming the presence of only bilinear exchange.

cond-mat.str-el↗

arXiv2000

Magnetization plateaux and jumps in a class of frustrated ladders: A simple route to a complex behaviour

We study the occurrence of plateaux and jumps in the magnetization curves of a class of frustrated ladders for which the Hamiltonian can be written in terms of the total spin of a rung. We argue on the basis of exact diagonalization of finite clusters that the ground state energy as a function of magnetization can be obtained as the minimum - with Maxwell constructions if necessary - of the energies of a small set of spin chains with mixed spins. This allows us to predict with very elementary methods the existence of plateaux and jumps in the magnetization curves in a large parameter range, and to provide very accurate estimates of these magnetization curves from exact or DMRG results for the relevant spin chains.

cond-mat.str-el↗

arXiv1999

Exchange interactions and magnetic properties of the layered vanadates CaV2O5, MgV2O5, CaV3O7 and CaV4O9

We have performed ab-initio calculations of exchange couplings in the layered vanadates CaV2O5, MgV2O5, CaV3O7 and CaV4O9. The uniform susceptibility of the Heisenberg model with these exchange couplings is then calculated by quantum Monte Carlo method; it agrees well with the experimental measurements. Based on our results we naturally explain the unusual magnetic properties of these materials, especially the huge difference in spin gap between CaV2O5 and MgV2O5, the unusual long range order in CaV3O7 and the "plaquette resonating valence bond (RVB)" spin gap in CaV4O9.

cond-mat.str-el↗

arXiv1998

Elementary excitations of the symmetric spin-orbital model: The XY limit

The elementary excitations of the 1D, symmetric, spin-orbital model are investigated by studying two anisotropic versions of the model, the pure XY and the dimerized XXZ case, with analytical and numerical methods. While they preserve the symmetry between spin and orbital degrees of freedom, these models allow for a simple and transparent picture of the low--lying excitations: In the pure XY case, a phase separation takes place between two phases with free--fermion like, gapless excitations, while in the dimerized case, the low-energy effective Hamiltonian reduces to the 1D Ising model with gapped excitations. In both cases, all the elementary excitations involve simultaneous flips of the spin and orbital degrees of freedom, a clear indication of the breakdown of the traditional mean-field theory.

cond-mat.str-el↗

arXiv1998

Quantum spin chains in a magnetic field

We demonstrate that the ``worm'' algorithm allows very effective and precise quantum Monte Carlo (QMC) simulations of spin systems in a magnetic field, and its auto-correlation time is rather insensitive to the value of H at low temperature. Magnetization curves for the $s=1/2$ and $s=1$ chains are presented and compared with existing Bethe ansatz and exact diagonalization results. From the Green function analysis we deduce the magnon spectra in the s=1 system, and directly establish the "relativistic" form E(p)=(Δ^2 +v^2 p^2)^{1/2} of the dispersion law.

cond-mat.str-el↗

arXiv1997

Thermodynamic properties of the one-dimensional Kondo insulators studied by the density matrix renormalization group method

Thermodynamic properties of the one-dimensional Kondo lattice model at half-filling are studied by the density matrix renormalization group method applied to the quantum transfer matrix. Spin susceptibility, charge susceptibility, and specific heat are calculated down to T=0.1t for various exchange constants. The obtained results clearly show crossover behavior from the high temperature regime of nearly independent localized spins and conduction electrons to the low temperature regime where the two degrees of freedom couple strongly. The low temperature energy scales of the charge and spin susceptibilities are determined and shown to be equal to the quasiparticle gap and the spin gap, respectively, for weak exchange couplings.

cond-mat.str-el↗

arXiv1997

Susceptibilities of Sr(Cu_(1-x)Zn_x)_2O_3 Studied by Quantum Monte Carlo Simulation

The effects of non-magnetic impurities randomly doped into a two-leg Heisenberg spin ladder are investigated. Using the continuous time quantum Monte Carlo loop algorithm we calculate the uniform and staggered susceptibilities of such a system. The obtained uniform susceptibility is well described in terms of an effective model of weakly interacting local moments induced by non-magnetic impurities for a 1% doping case, but not for higher concentrations. The staggered susceptibility however is significantly enhanced over that in the effective model already at 1% doping. Using a mean field approximation for the interladder coupling, we explain qualitatively the phase diagram of Sr(Cu_{1-x}Zn_x)_2O_3.

cond-mat.str-el↗

arXiv1992

Spin Gap and Superconductivity in the One-Dimensional t-J Model with Coulomb Repulsion

The one-dimensional t-J model with density-density repulsive interactions is investigated using exact diagonalization and quantum Monte Carlo methods. A short-range repulsion pushes phase separation to larger values of J/t, and leads to a widened precursor region in which a spin gap and strengthened superconducting correlations appear. The correlation exponent is calculated. On the contrary, a long-range repulsion of $1/r$-form suppresses superconductivity in the precursor region.

cond-mat↗