arXiv subjects

A. W. Sandvik

Publications and source records attributed to A. W. Sandvik.

At least 37 records · Page 2Linked to original sources

arXiv2004

Ground state phases of the Half-Filled One-Dimensional Extended Hubbard Model

Using quantum Monte Carlo simulations, results of a strong-coupling expansion, and Luttinger liquid theory, we determine quantitatively the ground state phase diagram of the one-dimensional extended Hubbard model with on-site and nearest-neighbor repulsions U and V. We show that spin frustration stabilizes a bond-ordered (dimerized) state for U appr. V/2 up to U/t appr. 9, where t is the nearest-neighbor hopping. The transition from the dimerized state to the staggered charge-density-wave state for large V/U is continuous for U up to appr. 5.5 and first-order for higher U.

cond-mat.str-el↗

arXiv2004

Aspect-ratio dependence of the spin stiffness of a two-dimensional XY model

We calculate the superfluid stiffness of 2D lattice hard-core bosons at half-filling (equivalent to the S=1/2 XY-model) using the squared winding number quantum Monte Carlo estimator. For L_x x L_y lattices with aspect ratio L_x/L_y=R, and L_x,L_y -> infinity, we confirm the recent prediction [N. Prokof'ev and B.V. Svistunov, Phys. Rev. B 61, 11282 (1999)] that the finite-temperature stiffness parameters ρ^W_x and ρ^W_y determined from the winding number differ from each other and from the true superfluid density ρ_s. Formally, ρ^W_y -> ρ_s in the limit in which L_x -> infinity first and then L_y -> infinity. In practice we find that ρ^W_y converges exponentially to ρ_s for R>1. We also confirm that for 3D systems, ρ^W_x = ρ^W_y = ρ^W_z = ρ_s for any R. In addition, we determine the Kosterlitz-Thouless transition temperature to be T_KT/J=0.34303(8) for the 2D model.

cond-mat.supr-con↗

arXiv2003

Two-Dimensional Quantum XY Model with Ring Exchange and External Field

We present the zero-temperature phase diagram of a square lattice quantum spin 1/2 XY model with four-site ring exchange in a uniform external magnetic field. Using quantum Monte Carlo techniques, we identify various quantum phase transitions between the XY-order, striped or valence bond solid, staggered Neel antiferromagnet and fully polarized ground states of the model. We find no evidence for a quantum spin liquid phase.

cond-mat.str-el↗

arXiv2003

Effect of an Electron-phonon Interaction on the One-electron Spectral Weight of a d-wave Superconductor

We analyze the effects of an electron-phonon interaction on the one-electron spectral weight A(k,omega) of a d_{x^2-y^2} superconductor. We study the case of an Einstein phonon mode with various momentum-dependent electron-phonon couplings and compare the structure produced in A(k,omega) with that obtained from coupling to the magnetic pi-resonant mode. We find that if the strength of the interactions are adjusted to give the same renormalization at the nodal point, the differences in A(k,omega) are generally small but possibly observable near k=(pi,0).

cond-mat.supr-con↗

arXiv2003

Comment on ``Ground State Phase Diagram of a Half-Filled One-Dimensional Extended Hubbard Model''

In Phys. Rev. Lett. 89, 236401 (2002), Jeckelmann argued that the recently discovered bond-order-wave (BOW) phase of the 1D extended Hubbard model does not have a finite extent in the (U,V) plane, but exists only on a segment of a first-order SDW-CDW phase boundary. We here present quantum Monte Carlo result of higher precision and for larger system sizes than previously and reconfirm that the BOW phase does exist a finite distance away from the phase boundary, which hence is a BOW-CDW transition curve.

cond-mat.str-el↗

arXiv2002

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.

cond-mat.str-el↗

arXiv2002

Persistent Currents in the Heisenberg chain with a weak link

The Heisenberg chain with a weak link is studied, as a simple example of a quantum ring with a constriction or defect. The Heisenberg chain is equivalent to a spinless electron gas under a Jordan-Wigner transformation. Using density matrix renormalization group and quantum Monte Carlo methods we calculate the spin/charge stiffness of the model, which determines the strength of the `persistent currents'. The stiffness is found to scale to zero in the weak link case, in agreement with renormalization group arguments of Eggert and Affleck, and Kane and Fisher.

cond-mat.str-el↗

arXiv1999

Double-layer Heisenberg antiferromagnet at finite temperature: Brueckner Theory and Quantum Monte Carlo simulations

The double-layer Heisenberg antiferromagnet with intra- and inter-layer couplings $J$ and $J_\perp$ exhibits a zero temperature quantum phase transition between a quantum disordered dimer phase for $g>g_c$ and a Neel phase with long range antiferromagnetic order for $g<g_c$, where $g=J_\perp/J$ and $g_c \approx 2.5$. We consider the behavior of the system at finite temperature for $g \ge g_c$ using two different and complementary approaches; an analytical Brueckner approximation and numerically exact quantum Monte Carlo simulations. We calculate the temperature dependent spin excitation spectrum (including the triplet gap), dynamic and static structure factors, the specific heat, and the uniform magnetic susceptibility. The agreement between the analytical and numerical approaches is excellent. For $T \to 0$ and $g \to g_c$, our analytical results for the specific heat and the magnetic susceptibility coincide with those previously obtained within the nonlinear $σ$ model approach for $N\to \infty$. Our quantum Monte Carlo simulations extend to significantly lower temperatures than previously, allowing us to obtain accurate results for the asymptotic quantum critical behavior. We also obtain an improved estimate for the critical coupling: $g_c = 2.525 \pm 0.002$.

cond-mat.supr-con↗

arXiv1998

Comment on "Evidence for nontrivial ground-state structure of 3d +/- J spin glasses"

In a recent Letter [Europhys. Lett. 40, 429 (1997)], Hartmann presented results for the structure of the degenerate ground states of the three-dimensional +/- J spin glass model obtained using a genetic algorithm. In this Comment, I argue that the method does not produce the correct thermodynamic distribution of ground states and therefore gives erroneous results for the overlap distribution. I present results of simulated annealing calculations using different annealing rates for cubic lattices with N=4*4*4spins. The disorder-averaged overlap distribution exhibits a significant dependence on the annealing rate, even when the energy has converged. For fast annealing, moments of the distribution are similar to those presented by Hartmann. However, as the annealing rate is lowered, they approach the results previously obtained using a multi-canonical Monte Carlo method. This shows explicitly that care must be taken not only to reach states with the lowest energy but also to ensure that they obey the correct thermodynamic distribution, i.e., that the probability is the same for reaching any of the ground states.

cond-mat.dis-nn↗

arXiv1998

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.

cond-mat.stat-mech↗

arXiv1997

Numerical Calculations of the B1g Raman Spectrum of the Two-Dimensional Heisenberg Model

The B1g Raman spectrum of the two-dimensional S=1/2 Heisenberg model is discussed within Loudon-Fleury theory at both zero and finite temperature. The exact T=0 spectrum for lattices with up to 6*6 sites is computed using Lanczos exact diagonalization. A quantum Monte Carlo (QMC) method is used to calculate the corresponding imaginary-time correlation function and its first two derivatives for lattices with up to 16*16 spins. The imaginary-time data is continued to real frequency using the maximum-entropy method, as well as a fit based on spinwave theory. The numerical results are compared with spinwave calculations for finite lattices. There is a surprisingly large change in the exact spectrum going from 4*4 to 6*6 sites. In the former case there is a single dominant two-magnon peak at frequency w/J appr. 3.0, whereas in the latter case there are two approximately equal-sized peaks at w/J appr. 2.7 and 3.9. This is in good qualitative agreement with the spinwave calculations including two-magnon processes on the same lattices. Both the Lanczos and the QMC results indicate that the actual infinite-size two-magnon profile is broader than the narrow peak obtained in spinwave theory, but the positions of the maxima agree to within a few percent. The higher-order contributions present in the numerical results are merged with the two-magnon profile and extend up to frequencies w/J appr. 7. The first three frequency cumulants of the spectrum are in excellent agreement with results previously obtained from a series expansion around the Ising limit. Typical experimental B1g$ spectra for La2CuO4 are only slightly broader than what we obtain here. The exchange constant extracted from the peak position is J appr. 1400K, in good agreement with values obtained from neutron scattering and NMR experiments.

cond-mat.str-el↗

arXiv1997

Finite-Size Scaling of the Ground State Parameters of the Two-Dimensional Heisenberg Model

The ground state parameters of the two-dimensional S=1/2 antiferromagnetic Heisenberg model are calculated using the Stochastic Series Expansion quantum Monte Carlo method for L*L lattices with L up to 16. The finite-size results for the energy E, the sublattice magnetization M, the long-wavelength susceptibility chi_perp(q=2*pi/L), and the spin stiffness rho_s, are extrapolated to the thermodynamic limit using fits to polynomials in 1/L, constrained by scaling forms previously obtained from renormalization group calculations for the nonlinear sigma model and chiral perturbation theory. The results are fully consistent with the predicted leading finite-size corrections and are of sufficient accuracy for extracting also subleading terms. The subleading energy correction (proportional to 1/L^4) agrees with chiral perturbation theory to within a statistical error of a few percent, thus providing the first numerical confirmation of the finite-size scaling forms to this order. The extrapolated ground state energy per spin, E=-0.669437(5), is the most accurate estimate reported to date. The most accurate Green's function Monte Carlo (GFMC) result is slightly higher than this value, most likely due to a small systematic error originating from ``population control'' bias in GFMC. The other extrapolated parameters are M=0.3070(3), rho_s = 0.175(2), chi_perp = 0.0625(9), and the spinwave velocity c=1.673(7). The statistical errors are comparable with those of the best previous estimates, obtained by fitting loop algorithm quantum Monte Carlo data to finite-temperature scaling forms. Both M and rho_s obtained from the finite-T data are, however, a few error bars higher than the present estimates. It is argued that the T=0 extrapolations performed here are less sensitive to effects of neglected

cond-mat.str-el↗

arXiv1997

Nuclear relaxation in the spin-1/2 antiferromagnetic chain compound Sr_2CuO_3 --- comparison between theories and experiments

The NMR relaxation data on Sr_2CuO_3 [Phys. Rev. Lett. 76, 4612 (1996)] are reexamined and compared with the analytic theory of the dynamic susceptibility in the S=1/2 antiferromagnetic Heisenberg chain including multiplicative logarithmic corrections [Phys. Rev. Lett. 78, 539 (1997); cond-mat/9610015]. Comparisons of the spin-lattice and the gaussian spin-echo decay rates (1/T_1 and 1/T_{2G}) and their ratio all show good quantitative agreement. Our results demonstrate the importance of the logarithmic corrections in the analysis of experimental data for quasi-1D systems and indicate that the dynamics of Sr_2CuO_3 is well described by a S=1/2 one-dimensional Heisenberg model with a nearest neighbor exchange.

cond-mat.str-el↗

arXiv1997

Quantum Monte Carlo in the Interaction Representation --- Application to a Spin-Peierls Model

A quantum Monte Carlo algorithm is constructed starting from the standard perturbation expansion in the interaction representation. The resulting configuration space is strongly related to that of the Stochastic Series Expansion (SSE) method, which is based on a direct power series expansion of exp(-beta*H). Sampling procedures previously developed for the SSE method can therefore be used also in the interaction representation formulation. The new method is first tested on the S=1/2 Heisenberg chain. Then, as an application to a model of great current interest, a Heisenberg chain including phonon degrees of freedom is studied. Einstein phonons are coupled to the spins via a linear modulation of the nearest-neighbor exchange. The simulation algorithm is implemented in the phonon occupation number basis, without Hilbert space truncations, and is exact. Results are presented for the magnetic properties of the system in a wide temperature regime, including the T-->0 limit where the chain undergoes a spin-Peierls transition. Some aspects of the phonon dynamics are also discussed. The results suggest that the effects of dynamic phonons in spin-Peierls compounds such as GeCuO3 and NaV2O5 must be included in order to obtain a correct quantitative description of their magnetic properties, both above and below the dimerization temperature.

cond-mat.str-el↗

arXiv1997

Dynamics of the spin-half Heisenberg chain at intermediate temperatures

Combining high-temperature expansions with the recursion method and quantum Monte Carlo simulations with the maximum entropy method, we study the dynamics of the spin-1/2 Heisenberg chain at temperatures above and below the coupling J. By comparing the two sets of calculations, their relative strengths are assessed. At high temperatures, we find that there is a low-frequency peak in the momentum integrated dynamic structure factor, due to diffusive long-wavelength modes. This peak is rapidly suppressed as the temperature is lowered below J. Calculation of the complete dynamic structure factor S(k,w) shows how the spectral features associated with the two-spinon continuum develop at low temperatures. We extract the nuclear spin-lattice relaxation rate 1/T1 from the w-->0 limit, and compare with recent experimental results for Sr2CuO3 and CuGeO3. We also discuss the scaling behavior of the dynamic susceptibility, and of the static structure factor S(k) and the static susceptibility X(k). We confirm the asymptotic low-temperature forms S(pi)~[ln(T)]^(3/2) and X(pi)~T^(-1)[ln(T)]^(1/2), expected from previous theoretical studies.

cond-mat.str-el↗

arXiv1996

Pseudoparticle Description of the 1D Hubbard Model Electronic Transport Properties

We extend the pseudoparticle transport description of the Hubbard chain to all energy scales. In particular we compute the mean value of the electric current transported by any Bethe-ansatz state and the transport masses of the charge carriers. We present numerical results for the optical conductivity of the model at half-filling for values of U/t=3 and 4. We show that these are in good agreement with the pseudoparticle description of the finite-energy transitions involving new pseudoparticle energy bands.

cond-mat.str-el↗

arXiv1996

Quantum-critical scaling and temperature-dependent logarithmic corrections in the spin-half Heisenberg chain

Low temperature dynamics of the S=1/2 Heisenberg chain is studied via a simple ansatz generalizing the conformal mapping and analytic continuation procedures to correlation functions with multiplicative logarithmic factors. Closed form expressions for the dynamic susceptibility and the NMR relaxation rates 1/T_1 and 1/T_{2G} are obtained, and are argued to improve the agreement with recent experiments. Scaling in q/T and ω/T are violated due to these logarithmic terms. Numerical results show that the logarithmic corrections are very robust. While not yet in the asymptotic low temperature regime, they provide striking qualitative confirmation of the theoretical results.

cond-mat↗

arXiv1996

Phase separation and the existence of superconductivity in a one-dimensional copper-oxygen model

The phase separation instability occurring with increasing nearest-neighbor repulsion V in a two-band Hubbard model (CuO chain) is discussed. Quantum Monte Carlo simulations indicate that this transition is associated with a level-crossing if the filling fraction is close to 1 (half-filled lower band). Spin-density-wave fluctuations then dominate before phase separation. Superconducting fluctuations dominate only at considerably higher doping levels.

cond-mat↗