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

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

Loop algorithms for quantum simulations of fermion models on lattices

Two cluster algorithms, based on constructing and flipping loops, are presented for worldline quantum Monte Carlo simulations of fermions and are tested on the one-dimensional repulsive Hubbard model. We call these algorithms the loop-flip and loop-exchange algorithms. For these two algorithms and the standard worldline algorithm, we calculated the autocorrelation times for various physical quantities and found that the ordinary worldline algorithm, which uses only local moves, suffers from very long correlation times that makes not only the estimate of the error difficult but also the estimate of the average values themselves difficult. These difficulties are especially severe in the low-temperature, large-$U$ regime. In contrast, we find that new algorithms, when used alone or in combinations with themselves and the standard algorithm, can have significantly smaller autocorrelation times, in some cases being smaller by three orders of magnitude. The new algorithms, which use non-local moves, are discussed from the point of view of a general prescription for developing cluster algorithms. The loop-flip algorithm is also shown to be ergodic and to belong to the grand canonical ensemble. Extensions to other models and higher dimensions is briefly discussed.Comment: 36 pages, RevTex ver.

Charge ordering in extended Hubbard models: Variational cluster approach

We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations correctly by the exact diagonalisation of clusters of finite size, whereas long-range order beyond the size of the clusters is treated on a mean-field level. For one dimension, we show that quantum Monte Carlo and density-matrix renormalization-group results can be reproduced with very good accuracy. Moreover we apply the method to the two-dimensional extended Hubbard model on a square lattice. In contrast to the one-dimensional case, a first order phase transition between spin density wave phase and charge density wave phase is found as function of the nearest-neighbor interaction at onsite interactions U>=3t. The single-particle spectral function is calculated for both the one-dimensional and the two-dimensional system.Comment: 15 pages, 12 figure

A quantum Monte Carlo algorithm realizing an intrinsic relaxation

We propose a new quantum Monte Carlo algorithm which realizes a relaxation intrinsic to the original quantum system. The Monte Carlo dynamics satisfies the dynamic scaling relation $\tau\sim \xi^z$ and is independent of the Trotter number. Finiteness of the Trotter number just appears as the finite-size effect. An infinite Trotter number version of the algorithm is also formulated, which enables us to observe a true relaxation of the original system. The strategy of the algorithm is a compromise between the conventional worldline local flip and the modern cluster loop flip. It is a local flip in the real-space direction and is a cluster flip in the Trotter direction. The new algorithm is tested by the transverse-field Ising model in two dimensions. An accurate phase diagram is obtained.Comment: 9 pages, 4 figure

Generalization of the Fortuin-Kasteleyn transformation and its application to quantum spin simulations,

We generalize the Fortuin-Kasteleyn (FK) cluster representation of the partition function of the Ising model to represent the partition function of quantum spin models with an arbitrary spin magnitude in arbitrary dimensions. This generalized representation enables us to develop a new cluster algorithm for the simulation of quantum spin systems by the worldline Monte Carlo method. Because the Swendsen-Wang algorithm is based on the FK representation, the new cluster algorithm naturally includes it as a special case. As well as the general description of the new representation, we present an illustration of our new algorithm for some special interesting cases: the Ising model, the antiferromagnetic Heisenberg model with $S=1$, and a general Heisenberg model. The new algorithm is applicable to models with any range of the exchange interaction, any lattice geometry, and any dimensions.Comment: 46 pages, 10 figures, to appear in J.Stat.Phy

Modelling an Imperfect Market

We propose a simple market model where agents trade different types of products with each other by using money, relying only on local information. Value fluctuations of single products, combined with the condition of maximum profit in transactions, readily lead to persistent fluctuations in the wealth of individual agents.Comment: 12 pages RevTeX and 5 Postscript figure

Physics of Fashion Fluctuations

We consider a market where many agents trade many different types of products with each other. We model development of collective modes in this market, and quantify these by fluctuations that scale with time with a Hurst exponent of about 0.7. We demonstrate that individual products in the model occationally become globally accepted means of exchange, and simultaneously become very actively traded. Thus collective features similar to money spontaneously emerge, without any a priori reason.Comment: 9 pages RevTeX, 5 Postscript figure

Effects of Nonmagnetic Impurity Doping on Spin Ladder System

Effects of nonmagnetic impurity doping on an AF spin-1/2 Heisenberg ladder system are studied by the QMC method. A single nonmagnetic impurity induces a localized spin-1/2 moment accompanied by "static" and enhanced AF correlations around it. Small and finite concentration of impurities induces a remarkable change of magnetic and thermodynamic properties with gapless excitations. It also shows rather sharp but continuous crossover around the concentration of about 4%. Above the crossover concentration, all the spins are strongly coupled participating in the enhanced and rather uniform power-law decay of the antiferromagnetic correlation. Below the crossover, each impurity forms an antiferromagnetic cluster only weakly coupled each other. For random distribution of impurities, large Curie-like susceptibility accompanied with small residual entropy is obtained at low temperatures in agreement with recent experimental observation in Zn-doped $SrCu_{2}O_{3}$. Temperature dependence of AF susceptibility shows power-law-like but weaker divergence than the single chain AFH in the temperature range studied.Comment: 4 pages, LaTeX+epsf.sty, submitted to J.Phys.Soc.Jpn. New results of AF susceptibility are adde