Reply to the Comment by Sandvik, Sengupta, and Campbell on ``Ground State Phase Diagram of a Half-Filled One-Dimensional Extended Hubbard Model''

In their Comment (see cond-mat/0301237), Sandvik, Sengupta, and Campbell present some numerical evidences to support the existence of an extended bond-order-wave (BOW) phase at couplings (U,V) weaker than a tricritical point (U_t,V_t) in the ground state phase diagram of the one-dimensional half-filled U-V Hubbard model. They claim that their results do not agree with the phase diagram proposed in my Letter (cond-mat/0204244), which shows a BOW phase for couplings stronger than the critical point only. However, I argue here that their results are not conclusive and do not refute the phase diagram described in the Letter.Comment: 1 page, published versio

NMR relaxation rates for the spin-1/2 Heisenberg chain

The spin-lattice relaxation rate $1/T_1$ and the spin echo decay rate $1/T_{2G}$ for the spin-$1\over 2$ antiferromagnetic Heisenberg chain are calculated using quantum Monte Carlo and maximum entropy analytic continuation. The results are compared with recent analytical calculations by Sachdev. If the nuclear hyperfine form factor $A_q$ is strongly peaked around $q=\pi$ the predicted low-temperature behavior [$1/T_1 \sim \ln{^{1/2}(1/T)}$, $1/T_{2G} \sim \ln{^{1/2}(1/T)}/\sqrt{T}$] extends up to temperatures as high as $T/J \approx 0.5$. If $A_q$ has significant weight for $q \approx 0$ there are large contributions from diffusive long-wavelength processes not taken into account in the theory, and very low temperatures are needed in order to observe the asymptotic $T \to 0$ forms.Comment: 9 pages, Revtex 3.0, 5 uuencoded ps figures To appear in Phys. Rev. B, Rapid Com

Order-Disorder Transition in a Two-Layer Quantum Antiferromagnet

We have studied the antiferromagnetic order -- disorder transition occurring at $T=0$ in a 2-layer quantum Heisenberg antiferromagnet as the inter-plane coupling is increased. Quantum Monte Carlo results for the staggered structure factor in combination with finite-size scaling theory give the critical ratio $J_c = 2.51 \pm 0.02$ between the inter-plane and in-plane coupling constants. The critical behavior is consistent with the 3D classical Heisenberg universality class. Results for the uniform magnetic susceptibility and the correlation length at finite temperature are compared with recent predictions for the 2+1-dimensional nonlinear $\sigma$-model. The susceptibility is found to exhibit quantum critical behavior at temperatures significantly higher than the correlation length.Comment: 11 pages (5 postscript figures available upon request), Revtex 3.

Spin dynamics of SrCu2_2O3_3 and the Heisenberg ladder

The $S=1/2$ Heisenberg antiferromagnet in the ladder geometry is studied as a model for the spin degrees of freedom of SrCu$_2$O$_3$. The susceptibility and the spin echo decay rate are calculated using a quantum Monte Carlo technique, and the spin-lattice relaxation rate is obtained by maximum entropy analytic continuation of imaginary time correlation functions. All calculated quantities are in reasonable agreement with experimental results for SrCu$_2$O$_3$ if the exchange coupling $J \approx 850$K, i.e. significantly smaller than in high-T$_c$ cuprates.Comment: 11 pages (Revtex) + 3 uuencoded ps files. To appear in Phys. Rev. B, Rapid Com

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.Comment: 11 RevTeX pages including 7 figures and 5 table

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.Comment: 5 pages, Revtex, 4 PostScript figures include

A New Approach to Stochastic State selections in Quantum Spin Systems

We propose a new type of Monte Carlo approach in numerical studies of quantum systems. Introducing a probability function which determines whether a state in the vector space survives or not, we can evaluate expectation values of powers of the Hamiltonian from a small portion of the full vector space. This method is free from the negative sign problem because it is not based on importance sampling techniques. In this paper we describe our method and, in order to examine how effective it is, present numerical results on the 4x4, 6x6 and 8x8 Heisenberg spin one-half model. The results indicate that we can perform useful evaluations with limited computer resources. An attempt to estimate the lowest energy eigenvalue is also stated.Comment: 10 pages, 2 figures, 8 table

Order by disorder from non-magnetic impurities in a two-dimensional quantum spin liquid

We consider doping of non-magnetic impurities in the spin-1/2, 1/5-depleted square lattice. This structure, whose undoped phase diagram offers both magnetically ordered and spin-liquid ground states, is realized physically in CaV_4O_9. Doping into the ordered phase results in a progressive loss of order, which becomes complete at the percolation threshold. By contrast, non-magnetic impurities introduced in the spin liquids create a phase of weak but long-ranged antiferromagnetic order coexisting with the gapped state. The latter may be viewed as a true order-by-disorder phenomenon. We study the phase diagram of the doped system by computing the static susceptibility and staggered magnetization using a stochastic series-expansion quantum Monte Carlo technique.Comment: 4 pages, 5 figure