Density Matrix Renormalization Group Technique Research Articles

Topological effects in short antiferromagnetic Heisenberg chains

The manifestations of topological effects in finite antiferromagnetic Heisenberg chains is examined by density matrix renormalization group technique in this paper. We find that difference between integer and half-integer spin chains shows up in ground state energy per site when length of spin chain is longer than $\sim\xi$, where $\xi\sim\exp(\pi S)$ is a spin-spin correlation length, for spin magnitude S up to 5/2. For open chains with spin magnitudes $S=5/2$ to S=5, we verify that end states with fractional spin quantum numbers $S'$ exist and are visible even when the chain length is much smaller than the correlation length $\xi$. The end states manifest themselves in the structure of the low energy excitation spectrum.

On the Distribution of Eigenvalues of Grand Canonical Density Matrices

Using physical arguments and partition theoretic methods, we demonstrate under general conditions, that the eigenvalues w(m) of the grand canonical density matrix decay rapidly with their index m, like w(m)∼exp[−βB−1(ln m)1+1/α], where B and α are positive constants, O(1), which may be computed from the spectrum of the Hamiltonian. We compute values of B and α for several physical models, and confirm our theoretical predictions with numerical experiments. Our results have implications in a variety of questions, including the behaviour of fluctuations in ensembles, and the convergence of numerical density matrix renormalization group techniques.

DMRG Studies of Impurities in Luttinger Liquids

Using the Density Matrix Renormalization Group (DMRG) and various analytical techniques (functional renormalization) we consider the effects of local impurities in Luttinger liquids. We find that the universal physics predicted by bosonization sets in only at extremely long, experimentally arguably irrelevant length scales or small energy scales respectively. The explicit construction of the RG flow allows to trace this behaviour to an extremely weak renormalization in real space of the impurities associated to the generation of a very long-ranged oscillating scattering potential.

Low-energy properties and magnetization plateaus in a two-leg mixed spin ladder

Using the density matrix renormalization group technique we investigate the low-energy properties and the magnetization plateau behavior in a 2-leg mixed spin ladder consisting of a spin-1/2 chain coupled with a spin-1 chain. The calculated results show that the system is in the same universality class as the spin-3/2 chain when the interchain coupling is strongly ferromagnetic, but the similarity between the two systems is less clear under other coupling conditions. We have identified two types of magnetization plateau phases. The calculation of the magnetization distribution on the spin-1/2 and the spin-1 chains on the ladder shows that one plateau phase is related to the partially magnetized valence-bond-solid state, and the other plateau state contains strongly coupled S=1 and s=1/2 spins on the rung.

Fractionally charged excitations in the charge density wave state of a quarter-filled t-J chain with quantum phonons

Elementary excitations of the 4k F charge density wave state of a quarter-filled strongly correlated electronic one-dimensional chain are investigated in the presence of dispersionless quantum optical phonons using Density Matrix Renormalization Group techniques. Such excitations are shown to be topological solitons carrying charge e/2 and spin zero. Relevance to the 4k F charge density wave instability in (DI - DCNQI)2 A g or recently discovered in (TMTTF)2X ( X=PF 6, AsF6) is discussed.

SMALL-TO-LARGE POLARON CROSSOVER IN ONE DIMENSION USING VARIATIONAL PHONON-AVERAGING TECHNIQUES

The ground-state properties of polarons in a one-dimensional chain is studied analytically within the modified Lang–Firsov (MLF) transformation using various phonon-averaging techniques. The object of the work is to examine how the analytical approaches may be improved to give rise to the real picture of polaronic properties as predicted by extensive numerical studies. The results are compared with those obtained from numerical analyses using the density matrix renormalization group (DMRG) and other variational techniques. It is observed that our results agree well with the numerical results particularly in the low and intermediate range of phonon coupling.

Magnetization in molecular iron rings

The organometallic ring molecules Fe_6 and Fe_10 are leading examples of a class of nanoscopic molecular magnets, which have been of intense recent interest both for their intrinsic magnetic properties and as candidates for the observation of macroscopic quantum coherent phenomena. Torque magnetometry experiments have been performed to measure the magnetization in single crystals of both systems. We provide a detailed interpretation of these results, with a view to full characterization of the material parameters. We present both the most accurate numerical simulations performed to date for ring molecules, using Exact Diagonalization and Density Matrix Renormalization Group techniques, and a semiclassical description for purposes of comparison. The results permit quantitative analysis of the variation of critical fields with angle, of the nature and height of magnetization and torque steps, and of the width and rounding of the plateau regions in both quantities.

Intra- and inter-chain dynamic response functions in quasi-one-dimensional conductors

Intra- and inter-chain excitation spectra are studied in a spinless fermion model on a two-leg ladder at half filling. Numerical results are obtained by application of the density matrix renormalization group technique to the quantum transfer matrix for infinite systems. Near the metal-insulator transition, the intra-chain Coulomb repulsion is found to affect local current correlation more sensitively in the rung direction than in the leg direction.

Phase diagram of the quarter-filled extended Hubbard model on a two-leg ladder

We investigate the ground-state phase diagram of the quarter-filled Hubbard ladder with nearest-neighbor Coulomb repulsion V using the Density Matrix Renormalization Group technique. The ground-state is homogeneous at small V, a ``checkerboard'' charge--ordered insulator at large V and not too small on-site Coulomb repulsion U, and is phase-separated for moderate or large V and small U. The zero-temperature transition between the homogeneous and the charge-ordered phase is found to be second order. In both the homogeneous and the charge-ordered phases the existence of a spin gap mainly depends on the ratio of interchain to intrachain hopping. In the second part of the paper, we construct an effective Hamiltonian for the spin degrees of freedom in the strong-coupling charge-ordered regime which maps the system onto a frustrated spin chain. The opening of a spin gap is thus connected with spontaneous dimerization.

Dynamical properties of spin-orbital chains in a magnetic field

The excitation spectrum of the one-dimensional spin-orbital model in a magnetic field is studied, using a recently developed dynamical density matrix renormalization group technique. The method is employed on chains with up to 80 sites, and examined for test cases such as the spin-1/2 antiferromagnetic Heisenberg chain, where the excitation spectrum is known exactly from the Bethe Ansatz. In the spin-orbital chain, the characteristic dynamical response depends strongly on the model parameters and the applied magnetic field. The coupling between the spin and orbital degrees of freedom is found to influence the incommensuration at finite magnetizations. In the regions of the phase diagram with only massive spin and orbital excitations, a finite field is required to overcome the spin gap. An incommensurate orbital mode is found to become massless in this partially spin-polarized regime, indicating a strong coupling between the two degrees of freedom. In the critical region with three elementary gapless excitations, a prominent particle-hole excitation is observed at higher energies, promoted by the biquadratic term in the model Hamiltonian of the spin-orbital chain.

Effects of inter-site repulsion in the one-dimensional dimerized Hubbard model at quarter-filling

To study the metal–insulator (MI) transition of Bechgaad salts, we investigate the one-dimensional (1D) dimerized Hubbard model with the nearest-neighbor Coulomb repulsions at quarter-filling. Density-matrix renormalization group (DMRG) technique is used to obtain the charge gap of this model. Thus, we examine the effect of the nearest-neighbor repulsion on the charge gap. We also investigate the simplified model of quasi-1D organic systems, using the weak-coupling theory and mean-field approximation, and then propose a possible idea for the MI transition.

Density-matrix renormalization-group technique with periodic boundary conditions for two-dimensional classical systems

The Density Matrix Renormalization Group (DMRG) method with periodic boundary conditions is introduced for two dimensional classical spin models. It is shown that this method is more suitable for derivation of the properties of infinite 2D systems than the DMRG with open boundary conditions despite the latter describes much better strips of finite width. For calculation at criticality, phenomenological renormalization at finite strips is used together with a criterion for optimum strip width for a given order of approximation. For this width the critical temperature of 2D Ising model is estimated with seven-digit accuracy for not too large order of approximation. Similar precision is reached for critical indices. These results exceed the accuracy of similar calculations for DMRG with open boundary conditions by several orders of magnitude.

Magnetization of theS=2antiferromagnetic Heisenberg chain near the critical magnetic field

Using the density-matrix renormalization-group (DMRG) technique, we carry out a large scale numerical calculation for the $S=2$ antiferromagnetic Heisenberg (AFH) chain. We obtain the magnetization curve of $S=2$ chain near the critical field. The corrections to the magnetization due to the magnon-magnon interaction are the same order for $S=2$ and $S=1$ chains. By comparing the experimental magnetization with our calculation, we find that the gap obtained experimentally is about $0.08J$ which is close to the accurate DMRG estimation for the $S=2$ AFH chain. Numerical errors in our large scale calculation are also discussed.

The commensurate-disordered phase transition in the 2D classical ATNNI model studied by DMRG

The classical two-dimensional anisotropic triangular nearest-neighbor Ising (ATNNI) model is studied by the density matrix renormalization group (DMRG) technique when periodic boundary conditions are imposed. Applying the finite-size scaling to the DMRG results a commensurate-disordered (C-D) phase transition line as well as temperature and magnetic critical exponents are calculated. We conclude that the (C-D) phase transition in the ATNNI model belongs to the same universality class as the ordered-disordered phase transition of the Ising model.

Optical phonons in a quarter-filled one-dimensional Hubbard model

The influence of dispersionless quantum optical phonons on the phase diagram of a quarter-filled Hubbard chain is studied using the density-matrix renormalization group technique. The ground state phase diagram is obtained for frequencies corresponding to the intramolecular vibrations in organic conductors. For high vibrational modes the system is only slightly affected by the electron-phonons coupling. It remains in a L\"uttinger liquid phase as long as the electronic repulsion is larger than the polaronic binding energy. For low vibrational modes the phase diagram is very rich. A noticeable point is the existence of a ${4k}_{F}$ charge-density wave phase for small values of the correlation strength. For realistic values of the electron repulsion and of the electron-phonons coupling constant a large phonons-mediated reduction of the L\"uttinger liquid parameter ${K}_{\ensuremath{\rho}}$ was found compared to the pure electronic model.

Logarithmic corrections to the ground-state energy of finitespin−12antiferromagnetic chains due to ferromagnetic end bonds

We analyze the logarithmic corrections due to ferromagnetic impurity ending bonds of open spin 1/2 antiferromagnetic chains, using the density matrix renormalization group technique. A universal finite size scaling $\sim {\frac 1 {L \log L}}$ for impurity contributions in the quasi-degenerate ground state energy is demonstrated for a zigzag spin 1/2 chain at the critical next nearest neighbor coupling and the standard Heisenberg spin 1/2 chain, in the long chain limit. Using an exact solution for the latter case it is argued that one can extract the impurity contributions to the entropy and specific heat from the scaling analysis. It is also shown that a pure spin 3/2 open Heisenberg chain belongs to the same universality class.

Pressure dependence and non-universal effects of microscopic couplings on the spin-Peierls transition in CuGeO

The theory by Cross and Fisher (CF) is by now commonly accepted for the description of the spin-Peierls transition within an adiabatic approach. The dimerization susceptibility as the essential quantity, however, is approximated by means of a continuum description. Several important experimental observations can not be understood within this scope. Using density matrix renormalization group (DMRG) techniques we are able to treat the spin system exactly up to numerical inaccuracies. Thus we find the correct dependence of the equation of state on the spin-spin interaction constant J, still in an adiabatic approach. We focus on the pressure dependence of the critical temperature which is absent in the CF theory as the only energy scale with considerable pressure dependence is J which drops out completely. Comparing the theoretical findings to the experimentally measured pressure dependence of the spin-Peierls temperature we obtain information on the variation of the frustration parameter with pressure. Furthermore, the ratio of the spectral gap and the transition temperature is analyzed.

Ising films with surface defects

The influence of surface defects on the critical properties of magnetic films is studied for Ising models with nearest-neighbour ferromagnetic couplings. The defects include one or two adjacent lines of additional atoms and a step on the surface. For the calculations, both density-matrix renormalization group and Monte Carlo techniques are used. By changing the local couplings at the defects and the film thickness, non-universal features as well as interesting crossover phenomena in the magnetic exponents are observed.

Charge Gap of the Quasi-One-Dimensional Organic Conductors: A Density-Matrix Renormalization-Group Study

The Density-matrix renormalization-group (DMRG) technique is used to study the one-dimensional (1D) dimerized Hubbard model at quarter filling. We carry out a precise calculation of the charge gap as a function of the interaction and dimerization strengths and evaluate the interaction strength of the effective 1D Hubbard model at half filling. We also examine the effect of nearest-neighbor repulsion on the charge gap, whereby we evaluate the realistic repulsive strengths for quasi-1D organic compounds.

Phase separation int−Jladders

The phase separation boundary of isotropic t-J ladders is analyzed using density matrix renormalization group techniques. The complete boundary to phase separation as a function of J/t and doping is determined for a chain and for ladders with two, three and four legs. Six-chain ladders have been analyzed at low hole doping. We use a direct approach in which the phase separation boundary is determined by measuring the hole density in the part of the system which contains both electrons and holes. In addition we examine the binding energy of multi-hole clusters. An extrapolation in the number of legs suggests that the lowest J/t for phase separation to occur in the two dimensional t-J model is J/t~1.