arXiv subjects

H. G. Evertz

Publications and source records attributed to H. G. Evertz.

At least 37 records · Page 2Linked to original sources

arXiv2004

Single particle spectrum of the flux phase in the FM Kondo Model

We investigate the 2D ferromagnetic Kondo lattice model for manganites with classical corespins at Hund's rule coupling J_H=6, with antiferromagnetic superexchange 0.03 < J' < 0.05. We employ canonical and grand canonical unbiased Monte Carlo simulations and find paramagnetism, weak ferromagnetism and the Flux phase, depending on doping and on J'. The observed single particle spectrum in the flux phase differs from the idealized infinite lattice case, but agrees well with an idealized finite lattice case with thermal fluctuations.

cond-mat.str-el↗

arXiv2004

Charge ordering in quarter-filled ladder systems coupled to the lattice

We investigate charge ordering in the presence of electron-phonon coupling for quarter-filled ladder systems by using Exact Diagonalization. As an example we consider NaV2O5 using model parameters obtained from first-principles band-structure calculations. The relevant Holstein coupling to the lattice considerably reduces the critical value of the nearest-neighbor Coulomb repulsion at which formation of the zig-zag charge-ordered state occurs, which is then accompanied by a static lattice distortion. Energy and length of a kink-like excitation on the background of the distorted lattice are calculated. Spin and charge spectra on ladders with and without static distortion are obtained, and the charge gap and the effective spin-spin exchange parameter J are extracted. J agrees well with experimental results. Analysis of the dynamical Holstein model, restricted to a small number of phonons, shows that low frequency lattice vibrations increase the charge order, accompanied by dynamically produced zig-zag lattice distortions.

cond-mat.str-el↗

arXiv2004

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.

cond-mat.str-el↗

arXiv2002

The Loop Algorithm

A review of the Loop Algorithm, its generalizations, and its relation to some other Monte Carlo techniques is given. The loop algorithm is a Quantum Monte Carlo procedure which employs nonlocal changes of worldline configurations, determined by local stochastic decisions. It is based on a formulation of quantum models of any dimension in an extended ensemble of worldlines and graphs, and is related to Swendsen-Wang algorithms. It can be represented directly on an operator level, both with a continuous imaginary time path integral and with the stochastic series expansion (SSE). It overcomes many of the difficulties of traditional worldline simulations. Autocorrelations are reduced by orders of magnitude. Grand-canonical ensembles, off-diagonal operators, and variance reduced estimators are accessible. In some cases, infinite systems can be simulated. For a restricted class of models, the fermion sign problem can be overcome. Transverse magnetic fields are handled efficiently, in contrast to strong diagonal ones. The method has been applied successfully to a variety of models for spin and charge degrees of freedom, including Heisenberg and XYZ spin models, hard-core bosons, Hubbard, and tJ-models. Due to the improved efficiency, precise calculations of asymptotic behavior and of quantum critical exponents have been possible.

cond-mat.str-el↗

arXiv2002

Diamagnetic Properties of Doped Antiferromagnets

Finite-temperature diamagnetic properties of doped antiferromagnets as modeled by the two-dimensional t-J model were investigated by numerical studies of small model systems. Two numerical methods were used: the worldline quantum Monte Carlo method with a loop cluster algorithm (QMC) and the finite-temperature Lanczos method (FTLM), yielding consistent results. The diamagnetic susceptibility introduced by coupling of the magnetic field to the orbital current reveals an anomalous temperature dependence, changing character from diamagnetic to paramagnetic at intermediate temperatures.

cond-mat.str-el↗

arXiv2001

Screened-interaction expansion for the Hubbard model and determination of the quantum Monte Carlo Fermi surface

We develop a systematic self-consistent perturbative expansion for the self energy of Hubbard-like models. The interaction lines in the Feynman diagrams are dynamically screened by the charge fluctuations in the system. Although the formal expansion is exact-assuming that the model under the study is perturbative-only if diagrams to all orders are included, it is shown that for large-on-site-Coulomb-repulsion-U systems weak-coupling expansions to a few orders may already converge. We show that the screened interaction for the large-U system can be vanishingly small at a certain intermediate electron filling; and it is found that our approximation for the imaginary part of the one-particle self energy agrees well with the QMC results in the low energy scales at this particular filling. But, the usefulness of the approximation is hindered by the fact that it has the incorrect filling dependence when the filling deviates from this value. We also calculate the exact QMC Fermi surfaces for the two-dimensional (2-D) Hubbard model for several fillings. Our results near half filling show extreme violation of the concepts of the band theory; in fact, instead of growing, Fermi surface vanishes when doped toward the half-filled Mott-Hubbard insulator. Sufficiently away from half filling, noninteracting-like Fermi surfaces are recovered. These results combined with the Luttinger theorem might show that diagrammatic expansions for the nearly-half-filled Hubbard model are unlikely to be possible; however, the nonperturbative part of the solution seems to be less important as the filling gradually moves away from one half. Results for the 2-D one-band Hubbard model for several hole dopings are presented. Implications of this study for the high-temperature superconductors are also discussed.

cond-mat.str-el↗

arXiv2001

Screening of long-range Coulomb interactions in the quasi two-dimensional extended Hubbard model: A combined quantum Monte Carlo and Feynman diagram study

By combining fermion Quantum Monte Carlo (QMC) simulations with diagrammatic theory, we have calculated the dielectric screening and the screened potential, in a quasi 2D Hubbard model for cuprate superconductors with and without 1/r Coulomb potential. At half filling, we find that the Hubbard electrons contribute only a minor fraction, Delta(epsilon) ~0.9 of the observed in-plane dielectric constant of the cuprates, epsilon ~4.7. With increasing doping x, the 1/r interaction is rapidly suppressed by metallic screening. Surprisingly, near x ~5%, the low-frequency part of the screened potential V_S becomes attractive, at distances r \ge 1. At r=1, it reaches maximum attraction strength for dopings x ~13-15% and becomes repulsive again for for x ~23-25%. Similar results are found for the pure 2D Hubbard model. The 1/r interaction enhances the on-site and 1st neighbor overscreening attraction already present in the pure model at finite doping. Our results are potentially relevant for the d-wave pairing mechanism in the cuprates, suggesting that the screened 1/r potential could actually increase the d-wave attraction, in the 5-25% doping regime. They may also have implications for the isotope effect and its doping dependence. At larger dopings, x>15%, the screened potential becomes attractive even on-site, suggesting that it could support or enhance s-wave pairing. We also give a rigorous analytical proof that the screened on-site interaction must become attractive near half-filling in the repulsive large-U-limit, with and without 1/r interaction. We present a simple physical interpretation of this result in terms of retardation effects. We also point out that on-site overscreening implies singularities in the imaginary frequency dependence of the irreducible polarization insertion and its 3-point vertex function.

cond-mat.str-el↗

arXiv2001

Simulations on Infinite Size Lattices

We introduce a Monte Carlo method, as a modification of existing cluster algorithms, which allows simulations directly on systems of infinite size, and for quantum models also at beta=infinity. All two-point functions can be obtained, including dynamical information. When the number of iterations is increased, correlation functions at larger distances become available. Limits q -> 0 and omega -> 0 can be approached directly. As examples we calculate spectra for the d=2 Ising model and for Heisenberg quantum spin ladders with 2 and 4 legs.

cond-mat.stat-mech↗

arXiv2000

Transport Properties of One-Dimensional Hubbard Models

We present results for the zero and finite temperature Drude weight D(T) and for the Meissner fraction of the attractive and the repulsive Hubbard model, as well as for the model with next nearest neighbor repulsion. They are based on Quantum Monte Carlo studies and on the Bethe ansatz. We show that the Drude weight is well defined as an extrapolation on the imaginary frequency axis, even for finite temperature. The temperature, filling, and system size dependence of D is obtained. We find counterexamples to a conjectured connection of dissipationless transport and integrability of lattice models.

cond-mat.str-el↗

arXiv2000

Thermodynamic and diamagnetic properties of weakly doped antiferromagnets

Finite-temperature properties of weakly doped antiferromagnets as modeled by the two-dimensional t-J model and relevant to underdoped cuprates are investigated by numerical studies of small model systems at low doping. Two numerical methods are used: the worldline quantum Monte Carlo method with a loop cluster algorithm and the finite-temperature Lanczos method, yielding consistent results. Thermodynamic quantities: specific heat, entropy and spin susceptibility reveal a sizeable perturbation induced by holes introduced into a magnetic insulator, as well as a pronounced temperature dependence. The diamagnetic susceptibility introduced by coupling of the magnetic field to the orbital current reveals an anomalous temperature dependence, changing character from diamagnetic to paramagnetic at intermediate temperatures.

cond-mat.str-el↗

arXiv1998

Overscreening in Hubbard electron systems

We show that doping-induced charge fluctuations in strongly correlated Hubbard electron systems near the 1/2-filled, insulating limit cause overscreening of the electron-electron Coulomb repulsion. The resulting attractive screened interaction potential supports d_{x^2-y^2}-pairing with a strongly peaked, doping dependent pairing strength at lower doping, followed by s-wave pairing at larger doping levels.

cond-mat.supr-con↗

arXiv1997

Pseudogaps and their Interplay with Magnetic Excitations in the doped 2D Hubbard Model

On the basis of Quantum Monte Carlo simulations of the two-dimensional Hubbard model which cover the doping range from the under- to the over-doped regime, we find that the single-particle spectral weight $A (\vec k,ω)$ qualitatively reproduces both the momentum ($d_{x^2-y^2}$--symmetry) and doping dependence of the pseudogap as found in photoemission experiments. The drastic doping dependence of the spin response $χ_{s} (\vec q,ω)$ which is sharp in both $\vec q (\approx(π,π))$ and $ω$ in the under-doped regime but broad and structureless otherwise, identifies remnants of the antiferromagnetic order as the driving mechanism behind the pseudogap and its evolution with doping.

cond-mat.str-el↗

arXiv1996

Comment on "Quantum Monte Carlo Evidence for Superconductivity in the Three-Band Hubbard Model in Two Dimensions"

In a recent Letter, Kuroki and Aoki [Phys. Rev. Lett. 76, 440 (1996)] presented quantum Monte-Carlo (QMC) results for pairing correlations in the three-band Hubbard model, which describes the Cu-d_{x^2-y^2} and O-p_{x,y} orbitals present in the CuO_2 planes of high-T_c materials. In this comment we argue that (i) the used parameter set is not appropriate for the description of high-T_c materials since it does not satisfy the minimal requirement of a charge-transfer gap at half-filling, and (ii) the observed increase in the d_{x^2-y^2} channel is dominantly produced by the pair-field correlations without the vertex part. Hence, the claim of evidence of ODLRO is not justified.

cond-mat↗

arXiv1996

Critical dynamics in the 2d classical XY-model: a spin dynamics study

Using spin-dynamics techniques we have performed large-scale computer simulations of the dynamic behavior of the classical three component XY-model (i.e. the anisotropic limit of an easy-plane Heisenberg ferromagnet), on square lattices of size up to 192^2, for several temperatures below, at, and above T_KT. The temporal evolution of spin configurations was determined numerically from coupled equations of motion for individual spins by a fourth order predictor-corrector method, with initial spin configurations generated by a hybrid Monte Carlo algorithm. The neutron scattering function S(q,omega) was calculated from the resultant space-time displaced spin-spin correlation function. Pronounced spin-wave peaks were found both in the in-plane and the out-of-plane scattering function over a wide range of temperatures. The in-plane scattering function S^xx also has a large number of clear but weak additional peaks, which we interpret to come from two-spin-wave scattering. In addition, we observed a small central peak in S^xx, even at temperatures well below the phase transition. We used dynamic finite size scaling theory to extract the dynamic critical exponent z. We find z=1.00(4) for all T <= T_KT, in excellent agreement with theoretical predictions, although the shape of S(q,omega) is not well described by current theory.

cond-mat↗

arXiv1994

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.

cond-mat↗

arXiv1993

Monte Carlo Renormalization Group Study of the d=1 XXZ Model

We report current progress on the synthesis of methods to alleviate two major difficulties in implementing a Monte Carlo Renormalization Group (MCRG) for quantum systems. In particular, we have utilized the loop-algorithm to reduce critical slowing down, and we have implemented an MCRG method in which the symmetries of the classical equivalent model need not be fully understood, since the Renormalization Group is given by the Monte Carlo simulation. We report preliminary results obtained when the resulting MCRG method is applied to the d=1 XXZ model. Our results are encouraging. However, since this model has a Kosterlitz-Thouless transition, it does not yet provide a full test of our MCRG method.

cond-mat↗

arXiv1993

The Solid-on-Solid Surface Width Around the Roughening Transition

We investigate the surface width $W$ of solid-on-solid surfaces in the vicinity of the roughening temperature $T_r$. Above $T_r$, $W^2$ is expected to diverge with the system size $L$ like $\ln L$. However, close to $T_r$ a clean $\ln{L}$ behavior can only be seen on extremely large lattices. Starting from the Kosterlitz-Thouless renormalization group, we derive an improved formula that describes the small $L$ behavior on both sides of $T_r$. For the Discrete Gaussian model, we used the valleys-to-mountains-reflections cluster algorithm in order to simulate the fluctuating solid-on-solid surface. The base plane above which the surface is defined is an $L \times L$ square lattice. In the simulation we took $8\leq L\leq 256$. The improved formula fits the numerical results very well. {}From the analysis, we estimate the roughening temperature to be $T_r = 0.755(3)$.

cond-mat↗

arXiv1993

Vertex Models and Quantum Spin Systems: a nonlocal approach

Within a general cluster framework, we discuss the loop-algorithm, a new type of cluster algorithm that reduces critical slowing down in vertex models and in quantum spin systems. We cover the example of the 6-vertex model in detail. For the F-model, we present numerical results that demonstrate the effectiveness of the loop algorithm. We discuss how to modify the original algorithm for some more complicated situations, especially for quantum spin systems in one and two dimensions.

cond-mat↗