Single hole dynamics in the Kondo Necklace and Bilayer Heisenberg models on a square lattice

We study single hole dynamics in the bilayer Heisenberg and Kondo Necklace models. Those models exhibit a magnetic order-disorder quantum phase transition as a function of the interlayer coupling J_perp. At strong coupling in the disordered phase, both models have a single-hole dispersion relation with band maximum at p = (\pi,\pi) and an effective mass at this p-point which scales as the hopping matrix element t. In the Kondo Necklace model, we show that the effective mass at p = (\pi,\pi) remains finite for all considered values of J_perp such that the strong coupling features of the dispersion relation are apparent down to weak coupling. In contrast, in the bilayer Heisenberg model, the effective mass diverges at a finite value of J_perp. This divergence of the effective mass is unrelated to the magnetic quantum phase transition and at weak coupling the dispersion relation maps onto that of a single hole doped in a planar antiferromagnet with band maximum at p = (\pi/2,\pi/2). We equally study the behavior of the quasiparticle residue in the vicinity of the magnetic quantum phase transition both for a mobile and static hole. In contrast to analytical approaches, our numerical results do not unambiguously support the fact that the quasiparticle residue of the static hole vanishes in the vicinity of the critical point. The above results are obtained with a generalized version of the loop algorithm to include single hole dynamics on lattice sizes up to 20 X 20.Comment: 12 pages, 13 Fig

Optical properties and Raman scattering of vanadium ladder compounds

We investigate electronic and optical properties of the V-based ladder compounds NaV2O5, the iso-structural CaV2O5, as well as MgV2O5, which differs from NaV2O5 and CaV2O5 in the c axis stacking. We calculate ab initio the A_g phonon modes in these compounds as a basis for the investigation of the electron-phonon and spin-phonon coupling. The phonon modes together with the dielectric tensors as a function of the corresponding ion displacements are the starting point for the calculation of the A_g Raman scattering.Comment: 4 pages, 5 figures, .bbl file with references included. Accepted for publication in Physica Script

Charge order induced by electron-lattice interaction in NaV2O5

We present Density Matrix Renormalization Group calculations of the ground-state properties of quarter-filled ladders including static electron-lattice coupling. Isolated ladders and two coupled ladders are considered, with model parameters obtained from band-structure calculations for $\alpha^\prime$-NaV$_2$O$_5$. The relevant Holstein coupling to the lattice causes static out-of-plane lattice distortions, which appear concurrently with a charge-ordered state and which exhibit the same zigzag pattern observed in experiments. The inclusion of electron-lattice coupling drastically reduces the critical nearest-neighbor Coulomb repulsion $V_c$ needed to obtain the charge-ordered state. No spin gap is present in the ordered phase. The charge ordering is driven by the Coulomb repulsion and the electron-lattice interaction. With electron-lattice interaction, coupling two ladders has virtually no effect on $V_c$ or on the characteristics of the charge-ordered phase. At V=0.46\eV, a value consistent with previous estimates, the lattice distortion, charge gap, charge order parameter, and the effective spin coupling are in good agreement with experimental data for NaV$_2$O_5$.Comment: 7 pages, 9 figure

Quantum Monte Carlo Simulation of the Trellis Lattice Heisenberg Model for SrCu2_2O3_3 and CaV2_2O5_5

We study the spin-1/2 trellis lattice Heisenberg model, a coupled spin ladder system, both by perturbation around the dimer limit and by quantum Monte Carlo simulations. We discuss the influence of the inter-ladder coupling on the spin gap and the dispersion, and present results for the temperature dependence of the uniform susceptibility. The latter was found to be parameterized well by a mean-field type scaling ansatz. Finally we discuss fits of experimental measurements on SrCu$_2$O$_3$ and CaV$_2$O$_5$ to our results.Comment: 7 pages, 8 figure

Cluster Algorithm for a Solid-On-Solid Model with Constraints

We adapt the VMR (valleys-to-mountains reflections) algorithm, originally devised by us for simulations of SOS models, to the BCSOS model. It is the first time that a cluster algorithm is used for a model with constraints. The performance of this new algorithm is studied in detail in both phases of the model, including a finite size scaling analysis of the autocorrelations.Comment: 10 pages, 3 figures appended as ps-file

Randomness-driven quantum phase transition in bond-alternating Haldane chain

The effect of bond randomness on the spin-gapped ground state of the spin-1 bond-alternating antiferromagnetic Heisenberg chain is discussed. By using the loop cluster quantum Monte Carlo method, we investigate the stability of topological order in terms of the recently proposed twist order parameter [M. Nakamura and S. Todo: Phys. Rev. Lett. 89 (2002) 077204]. It is observed that the dimer phases as well as the Haldane phase of the spin-1 Heisenberg chain are robust against a weak randomness, though the valence-bond-solid-like topological order in the latter phase is destroyed by introducing a disorder stronger than the critical value.Comment: 4 pages, 5 figures; minor changes; accepted for publication in J. Phys. Soc. Jp

Meron-Cluster Solution of Fermion and Other Sign Problems

Numerical simulations of numerous quantum systems suffer from the notorious sign problem. Important examples include QCD and other field theories at non-zero chemical potential, at non-zero vacuum angle, or with an odd number of flavors, as well as the Hubbard model for high-temperature superconductivity and quantum antiferromagnets in an external magnetic field. In all these cases standard simulation algorithms require an exponentially large statistics in large space-time volumes and are thus impossible to use in practice. Meron-cluster algorithms realize a general strategy to solve severe sign problems but must be constructed for each individual case. They lead to a complete solution of the sign problem in several of the above cases.Comment: 15 pages,LATTICE9