arXiv subjects

M. Jarrell

Publications and source records attributed to M. Jarrell.

At least 91 records · Page 5Linked to original sources

arXiv2002

Comparison of two quantum-cluster approximations

We provide microscopic diagrammatic derivations of the the Molecular Coherent Potential Approximation (MCA) and Dynamical Cluster Approximation (DCA) and show that both are Phi-derivable. The MCA (DCA) maps the lattice onto a self-consistently embedded cluster with open (periodic) boundary conditions, and therefore violates (preserves) the translational symmetry of the original lattice. As a consequence of the boundary conditions, the MCA (DCA) converges slowly (quickly) with corrections O(1/Lc) (O(1/Lc^2)), where Lc is the linear size of the cluster. These analytical results are demonstrated numerically for the one-dimensional symmetric Falicov-Kimball model.

cond-mat.str-el↗

arXiv2002

Analysis of the dynamical cluster approximation for the Hubbard model

We examine a central approximation of the recently introduced Dynamical Cluster Approximation (DCA) by example of the Hubbard model. By both analytical and numerical means we study non-compact and compact contributions to the thermodynamic potential. We show that approximating non-compact diagrams by their cluster analogs results in a larger systematic error as compared to the compact diagrams. Consequently, only the compact contributions should be taken from the cluster, whereas non-compact graphs should be inferred from the appropriate Dyson equation. The distinction between non-compact and compact diagrams persists even in the limit of infinite dimensions. Non-local corrections beyond the DCA exist for the non-compact diagrams, whereas they vanish for compact diagrams.

cond-mat.str-el↗

arXiv2002

Zinc Impurities in the 2D Hubbard model

We study the two-dimensional Hubbard model with nonmagnetic Zn impurities modeled by binary diagonal disorder using Quantum Monte Carlo within the Dynamical Cluster Approximation. With increasing Zn content we find a strong suppression of d-wave superconductivity concomitant to a reduction of antiferromagnetic spin fluctuations. $T_c$ vanishes linearly with Zn impurity concentration. The spin susceptibility changes from pseudogap to Curie-Weiss like behavior indicating the existence of free magnetic moments in the Zn doped system. We interpret these results within the RVB picture.

cond-mat.supr-con↗

arXiv2001

ARPES Spectra of the Hubbard model

We discuss spectra calculated for the 2D Hubbard model in the intermediate coupling regime with the dynamical cluster approximation, which is a non-perturbative approach. We find a crossover from a normal Fermi liquid with a Fermi surface closed around the Brillouin zone center at large doping to a non-Fermi liquid for small doping. The crossover is signalled by a splitting of the Fermi surface around the $X$ point of the 2D Brillouin zone, which eventually leads to a hole-like Fermi surface closed around the point M. The topology of the Fermi surface at low doping indicates a violation of Luttinger's theorem. We discuss different ways of presenting the spectral data to extract information about the Fermi surface. A comparison to recent experiments will be presented.

cond-mat.str-el↗

arXiv2001

A Quantum Monte Carlo algorithm for non-local corrections to the Dynamical Mean-Field Approximation

We present the algorithmic details of the dynamical cluster approximation (DCA), with a quantum Monte Carlo (QMC) method used to solve the effective cluster problem. The DCA is a fully-causal approach which systematically restores non-local correlations to the dynamical mean field approximation (DMFA) while preserving the lattice symmetries. The DCA becomes exact for an infinite cluster size, while reducing to the DMFA for a cluster size of unity. We present a generalization of the Hirsch-Fye QMC algorithm for the solution of the embedded cluster problem. We use the two-dimensional Hubbard model to illustrate the performance of the DCA technique. At half-filling, we show that the DCA drives the spurious finite-temperature antiferromagnetic transition found in the DMFA slowly towards zero temperature as the cluster size increases, in conformity with the Mermin-Wagner theorem. Moreover, we find that there is a finite temperature metal to insulator transition which persists into the weak-coupling regime. This suggests that the magnetism of the model is Heisenberg like for all non-zero interactions. Away from half-filling, we find that the sign problem that arises in QMC simulations is significantly less severe in the context of DCA. Hence, we were able to obtain good statistics for small clusters. For these clusters, the DCA results show evidence of non-Fermi liquid behavior and superconductivity near half-filling.

cond-mat.str-el↗

arXiv2001

Systematic and Causal Corrections to the Coherent Potential Approximation

The Dynamical Cluster Approximation (DCA) is modified to include disorder. The DCA incorporates non-local corrections to local approximations such as the Coherent Potential Approximation (CPA) by mapping the lattice problem with disorder, and in the thermodynamic limit, to a self-consistently embedded finite-sized cluster problem. It satisfies all of the characteristics of a successful cluster approximation. It is causal, preserves the point-group and translational symmetry of the original lattice, recovers the CPA when the cluster size equals one, and becomes exact as $N_c\to\infty$. We use the DCA to study the Anderson model with binary diagonal disorder. It restores sharp features and band tailing in the density of states which reflect correlations in the local environment of each site. While the DCA does not describe the localization transition, it does describe precursor effects of localization.

cond-mat.dis-nn↗

arXiv2000

Phase Diagram of the Hubbard Model: Beyond the Dynamical Mean Field

The Dynamical Cluster Approximation (DCA) is used to study non-local corrections to the dynamical mean field phase diagram of the two-dimensional Hubbard model. Regions of antiferromagnetic, d-wave superconducting, pseudo-gapped non-Fermi liquid, and Fermi liquid behaviors are found, in rough agreement with the generic phase diagram of the cuprates. The non-local fluctuations beyond the mean field both suppress the antiferromagnetism and mediate the superconductivity.

cond-mat.str-el↗

arXiv2000

Absence of a Slater Transition in The Two-Dimensional Hubbard Model

We present well-controlled results on the metal to insulator transition (MIT) within the paramagnetic solution of the dynamical cluster approximation (DCA) in the two-dimensional Hubbard model at half-filling. In the strong coupling regime, a local picture describes the properties of the model; there is a large charge gap $Δ\approx U$. In the weak-coupling regime, we find a symbiosis of short-range antiferromagnetic correlations and moment formation cause a gap to open at finite temperature as in one dimension. Hence, this excludes the mechanism of the MIT proposed by Slater long ago.

cond-mat.str-el↗

arXiv2000

The Dynamical Cluster Approximation: A New Technique for Simulations of Strongly Correlated Electron Systems

We present the algorithmic details of the dynamical cluster approximation (DCA) algorithm. The DCA is a fully-causal approach which systematically restores non-local correlations to the dynamical mean field approximation (DMFA). The DCA is in the thermodynamic limit and becomes exact for an infinite cluster size, while reducing to the DMFA for a cluster size of unity. Using the one-dimensional Hubbard Model as a non-trivial test of the method, we systematically compare the results of a quantum Monte Carlo (QMC) based DCA with those obtained by finite-size QMC simulations (FSS). We find that the single-particle Green function and the self-energy of the DCA and FSS approach the same limit as the system size is increased, but from complimentary directions. The utility of the DCA in addressing problems that have not been resolved by FSS is demonstrated.

cond-mat.str-el↗

arXiv2000

d-wave Superconductivity in the Hubbard Model

The superconducting instabilities of the doped repulsive 2D Hubbard model are studied in the intermediate to strong coupling regime with help of the Dynamical Cluster Approximation (DCA). To solve the effective cluster problem we employ an extended Non Crossing Approximation (NCA), which allows for a transition to the broken symmetry state. At sufficiently low temperatures we find stable d-wave solutions with off-diagonal long range order. The maximal $T_c\approx 150K$ occurs for a doping $δ\approx 20%$ and the doping dependence of the transition temperatures agrees well with the generic high-$T_c$ phase diagram.

cond-mat.supr-con↗

arXiv2000

The low-energy scale of the periodic Anderson model

Wilson's Numerical Renormalization Group method is used to study the paramagnetic ground state of the periodic Anderson model within the dynamical mean-field approach. For the particle-hole symmetric model, which is a Kondo insulator, we find that the lattice Kondo scale T_0 is strongly enhanced over the impurity scale T_K; T_0/T_K ~ exp(1/3I), where I is the Schrieffer-Wolff exchange coupling. In the metallic regime, where the conduction band filling is reduced from one, we find characteristic signatures of Nozières exhaustion scenario, including a strongly reduced lattice Kondo scale, a significant suppression of the states available to screen the f-electron moment, and a Kondo resonance with a strongly enhanced height. However, in contrast to the quantitative predictions of Nozières, we find that the T_0 ~ T_K with a coefficient which depends strongly on conduction band filling.

cond-mat.str-el↗

arXiv1999

Pseudogaps in the 2D half-filled Hubbard model

We study the pseudogaps in the spectra of the half-filled 2D Hubbard model using both finite-size and dynamical cluster approximation (DCA) quantum Monte Carlo calculations. A charge pseudogap, accompanied by non-Fermi liquid behavior in the self energy, is shown to persist in the thermodynamic limit. The DCA (finite-size) method systematically underestimates (overestimates) the width of the pseudogap. A spin pseudogap is not seen at half-filling.

cond-mat.str-el↗

arXiv1999

Evidence for exhaustion in the conductivity of the infinite-dimensional periodic Anderson model

Monte Carlo-maximum entropy calculations of the conductivity of the infinite-dimensional periodic Anderson model are presented. We show that the optical conductivity displays anomalies associated with the exhaustion of conduction-band states near the Fermi energy including a Drude weight which rises with temperature, with weight transferred from a temperature and doping-dependent mid-IR peak and a low-frequency incoherent contribution. Both the Drude and mid-IR peaks persist up to very high temperatures. The resistivity displays a non-universal peak and two other regions associated with impurity-like physics at high temperatures and Fermi Liquid formation at low T.

cond-mat.str-el↗

arXiv1999

A Non-Crossing Approximation for the Study of Intersite Correlations

We develop a Non-Crossing Approximation (NCA) for the effective cluster problem of the recently developed Dynamical Cluster Approximation (DCA). The DCA technique includes short-ranged correlations by mapping the lattice problem onto a self-consistently embedded periodic cluster of size $N_c$. It is a fully causal and systematic approximation to the full lattice problem, with corrections ${\cal{O}}(1/N_c)$ in two dimensions. The NCA we develop is a systematic approximation with corrections ${\cal{O}}(1/N_c^3)$. The method will be discussed in detail and results for the one-particle properties of the Hubbard model are shown. Near half filling, the spectra display pronounced features including a pseudogap and non-Fermi-liquid behavior due to short-ranged antiferromagnetic correlations.

cond-mat.str-el↗

arXiv1999

The Dynamical Cluster Approximation: Non-Local Dynamics of Correlated Electron Systems

We recently introduced the dynamical cluster approximation(DCA), a new technique that includes short-ranged dynamical correlations in addition to the local dynamics of the dynamical mean field approximation while preserving causality. The technique is based on an iterative self-consistency scheme on a finite size periodic cluster. The dynamical mean field approximation (exact result) is obtained by taking the cluster to a single site (the thermodynamic limit). Here, we provide details of our method, explicitly show that it is causal, systematic, $Φ$-derivable, and that it becomes conserving as the cluster size increases. We demonstrate the DCA by applying it to a Quantum Monte Carlo and Exact Enumeration study of the two-dimensional Falicov-Kimball model. The resulting spectral functions preserve causality, and the spectra and the CDW transition temperature converge quickly and systematically to the thermodynamic limit as the cluster size increases.

cond-mat.str-el↗

arXiv1999

Absence of hysteresis at the Mott-Hubbard metal-insulator transition in infinite dimensions

The nature of the Mott-Hubbard metal-insulator transition in the infinite-dimensional Hubbard model is investigated by Quantum Monte Carlo simulations down to temperature T=W/140 (W=bandwidth). Calculating with significantly higher precision than in previous work, we show that the hysteresis below T_{IPT}\simeq 0.022W, reported in earlier studies, disappears. Hence the transition is found to be continuous rather than discontinuous down to at least T=0.325T_{IPT}. We also study the changes in the density of states across the transition, which illustrate that the Fermi liquid breaks down before the gap opens.

cond-mat.str-el↗

arXiv1998

Nonlocal Dynamical Correlations of Strongly Interacting Electron Systems

We introduce an extension of the dynamical mean field approximation (DMFA) which retains the causal properties and generality of the DMFA, but allows for systematic inclusion of non-local corrections. Our technique maps the problem to a self-consistently embedded cluster. The DMFA (exact result) is recovered as the cluster size goes to one (infinity). As a demonstration, we study the Falicov-Kimball model using a variety of cluster sizes. We show that the sum rules are preserved, the spectra are positive definite, and the non-local correlations suppress the CDW transition temperature. \

cond-mat.str-el↗

arXiv1998

Multi-Orbital Hubbard Model in Infinite Dimensions: Quantum Monte Carlo Calculation

Using Quantum Monte Carlo we compute thermodynamics and spectra for the orbitally degenerate Hubbard model in infinite spatial dimensions. With increasing orbital degeneracy we find in the one-particle spectra: broader Hubbard bands (consistent with increased kinetic energy), a narrowing Mott gap, and increasing quasi-particle spectral weight. In opposition, Hund's rule exchange coupling decreases the critical on-site Coulomb energy for the Mott transition. The metallic regime resistivity for two-fold degeneracy is quadratic-in-temperature at low temperatures.

cond-mat.str-el↗