arXiv subjects

W. Hanke

Publications and source records attributed to W. Hanke.

At least 37 records · Page 2Linked to original sources

arXiv2004

Variational cluster approach to spontaneous symmetry breaking: The itinerant antiferromagnet in two dimensions

Based on the self-energy-functional approach proposed recently [M. Potthoff, Eur. Phys. J. B 32, 429 (2003)], we present an extension of the cluster-perturbation theory to systems with spontaneously broken symmetry. Our method applies to models with local interactions and accounts for both short-range correlations and long-range order. Short-range correlations are accurately taken into account via exact diagonalization of finite clusters. Long-range order is described by variational optimization of a ficticious symmetry-breaking field. In comparison with related cluster methods, our approach is more flexible and, for a given cluster size, less demanding numerically, especially at zero temperature. An application of the method to the antiferromagnetic phase of the Hubbard model at half-filling shows good agreement with results from quantum Monte-Carlo calculations. We demonstrate that the variational extension of the cluster-perturbation theory is crucial to reproduce salient features of the single-particle spectrum.

cond-mat.str-el↗

arXiv2004

Electron-phonon vertex in the two-dimensional one-band Hubbard model

Using quantum Monte Carlo techniques, we study the effects of electronic correlations on the effective electron-phonon (el-ph) coupling in a two-dimensional one-band Hubbard model. We consider a momentum-independent bare ionic el-ph coupling. In the weak- and intermediate-correlation regimes, we find that the on-site Coulomb interaction $U$ acts to effectively suppress the ionic el-ph coupling at all electron- and phonon- momenta. In this regime, our numerical simulations are in good agreement with the results of perturbation theory to order $U^2$. However, entering the strong-correlation regime, we find that the forward scattering process stops decreasing and begins to substantially increase as a function of $U$, leading to an effective el-ph coupling which is peaked in the forward direction. Whereas at weak and intermediate Coulomb interactions, screening is the dominant correlation effect suppressing the el-ph coupling, at larger $U$ values irreducible vertex corrections become more important and give rise to this increase. These vertex corrections depend crucially on the renormalized electronic structure of the strongly correlated system.

cond-mat.str-el↗

arXiv2003

Asymmetric electron-phonon interactions in the three-band Peierls-Hubbard model

Using the Quantum Monte Carlo (QMC) technique within frozen-phonon, we studied the effects of the half-breathing O$(π,0)$ phonon mode on the ground-state properties of the three-band Peierls-Hubbard model. Our simulations are performed for both ionic and covalent electron-phonon couplings. The effects of lattice displacements on the ground-state energies and charge fluctuations are similar in magnitude for both hole- and electron-doped cases. However, the effects of lattice displacements on the magnetic properties are rather different. In the hole-doped case, the normalized next-nearest-neighbor Cu-Cu spin correlations are dramatically modified by both ionic and covalent electron-phonon couplings. On the other hand, in the electron-doped case, much smaller effects are observed. The distinct spin-phonon couplings, in conjunction with the spin-bag picture of the quasiparticle, could explain a strong mass renormalization effect in the p-type cuprates and a weaker effect in the n-type cuprates.

cond-mat.str-el↗

arXiv2003

Scaling properties of the projected SO(5) model in three dimensions

We study the scaling properties of the quantum ``projected'' SO(5) model in three dimensions by means of a highly accurate Quantum-Monte-Carlo analysis. Within the parameter regime studied (temperature and system size), we show that the scaling behavior is consistent with a SO(5)-symmetric critical behavior in a relative extendent transient regime. This holds both when the symmetry breaking is caused by quantum fluctuations only as well as when also the static (mean-field) symmetry is moderately broken. We argue that possible departure away from the SO(5)-symmetric scaling occurs only in an extremely narrow parameter regime, which is inaccessible both experimentally and numerically.

cond-mat.str-el↗

arXiv2003

Phase-fluctuation induced reduction of the kinetic energy at the superconducting transition

Recent reflectivity measurements provide evidence for a "violation" of the in-plane optical integral in the underdoped high-T_c compound Bi_2Sr_2CaCu_2O_{8+δ} up to frequencies much higher than expected by standard BCS theory. The sum rule violation may be related to a loss of in-plane kinetic energy at the superconducting transition. Here, we show that a model based on phase fluctuations of the superconducting order parameter can account for this change of in-plane kinetic energy at T_c. The change is due to a transition from a phase-incoherent Cooper-pair motion in the pseudogap regime above T_c to a phase-coherent motion at T_c.

cond-mat.supr-con↗

arXiv2002

Pair Phase Fluctuations and the Pseudogap

The single-particle density of states and the tunneling conductance are studied for a two-dimensional BCS-like Hamiltonian with a d_{x^2-y^2}-gap and phase fluctuations. The latter are treated by a classical Monte Carlo simulation of an XY model. Comparison of our results with recent scanning tunneling spectra of Bi-based high-T_c cuprates supports the idea that the pseudogap behavior observed in these experiments can be understood as arising from phase fluctuations of a d_{x^2-y^2} pairing gap whose amplitude forms on an energy scale set by T_c^{MF} well above the actual superconducting transition.

cond-mat.supr-con↗

arXiv2002

Interrelation between antiferromagnetic and superconducting gaps in high-Tc materials

We propose a phenomenological model, comprising a microscopic \sof model plus the on-site Hubbard interaction $U$ (``projected \sof model'') to understand the interrelation between the d-wave-gap modulation observed by recent angle-resolved photoemission experiments in the insulating antiferromagnet Ca$_2$CuO$_2$Cl$_2$ and the d-wave gap of high-Tc superconducting materials. The on-site interaction $U$ is important in order to produce a Mott gap of the correct order of magnitude, which would be absent in an exact \sof theory. The projected \sof-model explains the gap characteristics, namely both the symmetry and the different order of magnitude of the gap modulations between the \af and the \sc phases. Furthermore, it is shown that the projected \sof theory can provide an explanation for a recent observation [E. Pavarini et al., Phys. Rev. Lett. 87, 47003 (2001)], i. e. that the maximum Tc observed in a large variety of high-Tc cuprates scales with the next-nearest-neighbor hopping matrix element $t'$.

cond-mat.supr-con↗

arXiv2002

Phase diagram and dynamics of the projected SO(5)-symmetric model of high-$T_c$ superconductivity

We present numerical studies of a quantum ``projected'' SO(5) model which aims at a unifying description of antiferromagnetism and superconductivity in the high-T$_c$ cuprates, while properly taking into account the Mott insulating gap. Our numerical results, obtained by the Quantum Monte Carlo technique of Stochastic Series Expansion, show that this model can give a realistic description of the global phase diagram of the high-$T_c$ superconductors and accounts for many of their physical properties. Moreover, we address the question of dynamic restoring of the SO(5) symmetry at the critical point.

cond-mat.supr-con↗

arXiv2001

Spectral Properties of High-T$_c$ Cuprates via a Cluster-Perturbation Approach

Angular-resolved photoemission data on half-filled doped cuprate materials are compared with an exact-diagonalization analysis of the three-band Hubbard model, which is extended to the infinite lattice by means of a perturbation in the intercluster hopping (cluster perturbation theory). A study of the band dispersion and spectral weight of the insulating cuprate Sr$_2$CuO$_2$Cl$_2$ allows us to fix a consistent parameter set, which turns out to be appropriate at finite dopings as well. In the overdoped regime, our results for the spectral weight and for the Fermi surface give a good description of the experimental data on Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$. In particular, the Fermi surface is hole-like and centered around $k=(π,π)$. Finally, we introduce a hopping between two layers and address the issue of bilayer splitting.

cond-mat.str-el↗

arXiv2001

Stripes and superconducting pairing in the t-J model with Coulomb interactions

We study the competition between long- and short-range interactions among charge carriers in strongly-correlated electronic systems employing a new method which combines the density-matrix renormalization-group technique with a self-consistent treatment of the long-range interactions. We apply the method to an extended t-J model which exhibits ``stripe'' order. The Coulomb interactions, while not destroying stripes, induce large transverse stripe fluctuations with associated charge delocalization. This leads to a substantial Coulomb-repulsion-induced {\it enhancement} of long-range superconducting pair-field correlations.

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↗

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

Critical properties of projected SO(5) models at finite temperatures

We consider the projected SO(5) bosonic model introduced in order to connect the SO(5) theory of high-T$_c$ superconductivity with the physics of the Mott-insulating gap, and derive the corresponding effective functional describing low-energy degrees of freedom. At the antiferromagnetic-superconducting transition, SO(5) symmetry-breaking effects due to the gap are purely quantum mechanical and become irrelevant in the neighborhood of a possible finite-temperature multicritical point separating the normal from the antiferromagnetic and the superconducting phases. A difference in the magnon and hole-pair mobility always takes the system away from the SO(5)-symmetric fixed point towards a region of instability, and the phase transition between the normal and the two ordered phases becomes first order before merging into the antiferromagnetic-superconducting line. Quantum fluctuations at intermediate temperatures, while introducing symmetry-breaking terms in the case of equal mobilities, tend to cancel the symmetry-breaking effects in the case of different mobilities.

cond-mat.str-el↗

arXiv2000

Anomalous low doping phase of the Hubbard model

We present results of a systematic Quantum-Monte-Carlo study for the single-band Hubbard model. Thereby we evaluated single-particle spectra (PES & IPES), two-particle spectra (spin & density correlation functions), and the dynamical correlation function of suitably defined diagnostic operators, all as a function of temperature and hole doping. The results allow to identify different physical regimes. Near half-filling we find an anomalous `Hubbard-I phase', where the band structure is, up to some minor modifications, consistent with the Hubbard-I predictions. At lower temperatures, where the spin response becomes sharp, additional dispersionless `bands' emerge due to the dressing of electrons/holes with spin excitatons. We present a simple phenomenological fit which reproduces the band structure of the insulator quantitatively. The Fermi surface volume in the low doping phase, as derived from the single-particle spectral function, is not consistent with the Luttinger theorem, but qualitatively in agreement with the predictions of the Hubbard-I approximation. The anomalous phase extends up to a hole concentration of 15%, i.e. the underdoped region in the phase diagram of high-T_c superconductors. We also investigate the nature of the magnetic ordering transition in the single particle spectra. We show that the transition to an SDW-like band structure is not accomplished by the formation of any resolvable `precursor bands', but rather by a (spectroscopically invisible) band of spin 3/2 quasiparticles. We discuss implications for the `remnant Fermi surface' in insulating cuprate compounds and the shadow bands in the doped materials.

cond-mat.str-el↗

arXiv1999

Renormalized SO(5) symmetry in ladders with next-nearest-neighbor hopping

We study the occurrence of SO(5) symmetry in the low-energy sector of two-chain Hubbard-like systems by analyzing the flow of the running couplings ($g$-ology) under renormalization group in the weak-interaction limit. It is shown that SO(5) is asymptotically restored for low energies for rather general parameters of the bare Hamiltonian. This holds also with inclusion of a next-nearest-neighbor hopping which explicitly breaks particle-hole symmetry provided one accounts for a different single-particle weight for the quasiparticles of the two bands of the system. The physical significance of this renormalized SO(5) symmetry is discussed.

cond-mat.str-el↗

arXiv1998

Magnetic Properties of YBa_2Cu_3O_{7-δ} in a self-consistent approach: Comparison with Quantum-Monte-Carlo Simulations and Experiments

We analyze single-particle electronic and two-particle magnetic properties of the Hubbard model in the underdoped and optimally-doped regime of \YBCO by means of a modified version of the fluctuation-exchange approximation, which only includes particle-hole fluctuations. Comparison of our results with Quantum-Monte Carlo (QMC) calculations at relatively high temperatures ($T\sim 1000 K$) suggests to introduce a temperature renormalization in order to improve the agreement between the two methods at intermediate and large values of the interaction $U$. We evaluate the temperature dependence of the spin-lattice relaxation time $T_1$ and of the spin-echo decay time $T_{2G}$ and compare it with the results of NMR measurements on an underdoped and an optimally doped \YBCO sample. For $U/t=4.5$ it is possible to consistently adjust the parameters of the Hubbard model in order to have a good {\it semi-quantitative} description of this temperature dependence for temperatures larger than the spin gap as obtained from NMR measurements. We also discuss the case $U/t\sim 8$, which is more appropriate to describe magnetic and single-particle properties close to half-filling. However, for this larger value of $U/t$ the agreement with QMC as well as with experiments at finite doping is less satisfactory.

cond-mat.str-el↗

arXiv1998

Interplane magnetic coupling effects in the multilattice compound Y_2Ba_4Cu_7O_{15}

We investigate the interplane magnetic coupling of the multilattice compound Y_2Ba_4Cu_7O_{15} by means of a bilayer Hubbard model with inequivalent planes. We evaluate the spin response, effective interaction and the intra- and interplane spin-spin relaxation times within the fluctuation exchange approximation. We show that strong in-plane antiferromagnetic fluctuations are responsible for a magnetic coupling between the planes, which in turns leads to a tendency of the fluctuation in the two planes to equalize. This equalization effect grows whit increasing in-plane antiferromagnetic fluctuations, i. e., with decreasing temperature and decreasing doping, while it is completely absent when the in-layer correlation length becomes of the order of one lattice spacing. Our results provide a good qualitative description of NMR and NQR experiments in Y_2Ba_4Cu_7O_{15}.

cond-mat.str-el↗

arXiv1998

Dynamical properties of two doped, coupled Hubbard chains

Using quantum Monte Carlo (QMC) simulations combined with Maximum Entropy analytic continuation as well as analytical methods, we examine the one- and two-particle dynamical properties of the Hubbard model on two coupled chains at small doping. The behavior of the single-particle spectral weight $A({\bf k},ω)$ as a function of hopping anisotropy $t_\perp/t$ at intermediate interaction strength is dominated by the transition from one-band behavior at large $t_\perp/t$ to two-band behavior at small $t_\perp/t$, although interaction effects such as band-narrowing, a shift of spectral weight to higher energies in the unoccupied antibonding band and reflected structures due to short-range antiferromagnetic correlations are also present. A single-particle gap is resolved in the intermediate $t_\perp/t$ Luther-Emery phase using Density Matrix Renormalization Group calculations. The dynamical spin and charge susceptibilities show features of the expected bonding-band Luttinger liquid behavior, as well as higher-energy features due to local excitations between the chains at large $t_\perp/t$, and evolve towards the behavior of two uncoupled chains as $t_\perp/t$ is reduced. For the one hole, large $t_\perp/t$ case, we make a detailed comparison between the QMC data and an approximation based on local rung states. At isotropic coupling and somewhat larger doping, we find that the dispersion of the single-particle bands is essentially unrenormalized from that of the noninteracting system, and that the spin and charge response functions have features also seen in random-phase-approximation calculations.

cond-mat.str-el↗