arXiv subjects

Th. Pruschke

Publications and source records attributed to Th. Pruschke.

At least 19 recordsLinked to original sources

arXiv2010

Polarized superfluid state in a three-dimensional fermionic optical lattice

We study ultracold fermionic atoms trapped in a three dimensional optical lattice by combining the real-space dynamical mean-field approach with continuous-time quantum Monte Carlo simulations. For a spin-unpolarized system we show results the density and pair potential profile in the trap for a range of temperatures. We discuss how a polarized superfluid state is spatially realized in the spin-polarized system with harmonic confinement at low temperatures and present the local particle density, local magnetization, and pair potential.

cond-mat.quant-gas↗

arXiv2008

Perfect dc conductance of a finite width Mott insulator sandwiched between metallic leads at zero temperature: a quantum emergent phenomenon in strongly correlated multilayers

Using inhomogeneous dynamical mean-field theory, we argue that the normal-metal proximity effect forces any finite number of "barrier" planes that are described by the (paramagnetic) Hubbard model and sandwiched between semi-infinite metallic leads to always be a Fermi liquid at T=0. This then implies that the inhomogeneous system restores lattice periodicity at zero frequency, has a well-defined Fermi surface, and should display perfect (ballistic) conductivity or "transparency". These results are, however, fragile with respect to finite frequency, V, T, disorder, or magnetism, all of which restore the expected quantum tunneling regime through a finite-width Mott insulator. Our formal results are complemented by numerical renormalization group studies on small thickness barriers that illustrate under what circumstances this behavior might be seen in real experimental systems.

cond-mat.str-el↗

arXiv2008

Theoretical description of time-resolved pump/probe photoemission in TaS\_2: a single-band DFT+DMFT(NRG) study within the quasiequilibrium approximation

In this work, we theoretically examine recent pump/probe photoemission experiments on the strongly correlated charge-density-wave insulator TaS\_2. We describe the general nonequilibrium many-body formulation of time-resolved photoemission in the sudden approximation, and then solve the problem using dynamical mean-field theory with the numerical renormalization group and a bare density of states calculated from density functional theory including the charge-density-wave distortion of the ion cores and spin-orbit coupling We find a number of interesting results: (i) the bare band structure actually has more dispersion in the perpendicular direction than in the two-dimensional planes; (ii) the DMFT approach can produce upper and lower Hubbard bands that resemble those in the experiment, but the upper bands will overlap in energy with other higher energy bands; (iii) the effect of the finite width of the probe pulse is minimal on the shape of the photoemission spectra; and (iv) the quasiequilibrium approximation does not fully describe the behavior in this system.

cond-mat.str-el↗

arXiv2008

A finite-frequency functional RG approach to the single impurity Anderson model

We use the Matsubara functional renormalization group (FRG) to describe electronic correlations within the single impurity Anderson model. In contrast to standard FRG calculations, we account for the frequency-dependence of the two-particle vertex in order to address finite-energy properties (e.g, spectral functions). By comparing with data obtained from the numerical renormalization group (NRG) framework, the FRG approximation is shown to work well for arbitrary parameters (particularly finite temperatures) provided that the electron-electron interaction U is not too large. We demonstrate that aspects of (large U) Kondo physics which are described well by a simpler frequency-independent truncation scheme are no longer captured by the 'higher-order' frequency-dependent approximation. In contrast, at small to intermediate U the results obtained by the more elaborate scheme agree better with NRG data. We suggest to parametrize the two-particle vertex not by three independent energy variables but by introducing three functions each of a single frequency. This considerably reduces the numerical effort to integrate the FRG flow equations.

cond-mat.str-el↗

arXiv2008

Theoretical description of time-resolved photoemission spectroscopy: application to pump-probe experiments

The theory for time-resolved photoemission spectroscopy as applied to pump-probe experiments is developed and solved for the generic case of a strongly correlated material. The formal development incorporates all of the nonequilibrium effects of the pump pulse and the finite time width of the probe pulse. While our formal development is completely general, in our numerical illustration for the Hubbard model, we assume the pump pulse drives the electrons into a nonequilibrium configuration, which rapidly thermalizes to create a hot (quasi-equilibrium) electronic system, and we then study the effects of windowing that arise from the finite width of the probe pulse. We find sharp features in the spectra are broadened, particularly the quasiparticle peak of strongly correlated metals at low temperature.

cond-mat.str-el↗

arXiv2008

Suppression of d-wave superconductivity in the checkerboard Hubbard model

Using a dynamical cluster quantum Monte Carlo approximation we investigate the d-wave superconducting transition temperature $T_c$ in the doped 2D repulsive Hubbard model with a weak inhomogeneity. The inhomogeneity is introduced in the hoppings $\tp$ and $t$ in the form of a checkerboard pattern where $t$ is the hopping within a $2\times2$ plaquette and $\tp$ is the hopping between the plaquettes. We find inhomogeneity suppresses $T_c$. The characteristic spin excitation energy and the strength of d-wave pairing interaction decrease with decreasing $T_c$ suggesting a strong correlation between these quantities.

cond-mat.supr-con↗

arXiv2008

Steady-state nonequilibrium density of states of driven strongly correlated lattice models in infinite dimensions

The formalism for exactly calculating the retarded and advanced Green's functions of strongly correlated lattice models in a uniform electric field is derived within dynamical mean-field theory. To illustrate the method, we solve for the nonequilibrium density of states of the Hubbard model in both the metallic and Mott insulating phases at half-filling (with an arbitrary strength electric field) by employing the numerical renormalization group as the impurity solver. This general approach can be applied to any strongly correlated lattice model in the limit of large dimensions.

cond-mat.str-el↗

arXiv2006

Functional renormalization group for non-equilibrium quantum many-body problems

We extend the concept of the functional renormalization for quantum many-body problems to non-equilibrium situations. Using a suitable generating functional based on the Keldysh approach, we derive a system of coupled differential equations for the $m$-particle vertex functions. The approach is completely general and allows calculations for both stationary and time-dependent situations. As a specific example we study the stationary state transport through a quantum dot with local Coulomb correlations at finite bias voltage employing two different truncation schemes for the infinite hierarchy of equations arising in the functional renormalization group scheme.

cond-mat.str-el↗

arXiv2006

Kinks in the dispersion of strongly correlated electrons

The properties of condensed matter are determined by single-particle and collective excitations and their interactions. These quantum-mechanical excitations are characterized by an energy E and a momentum \hbar k which are related through their dispersion E_k. The coupling of two excitations may lead to abrupt changes (kinks) in the slope of the dispersion. Such kinks thus carry important information about interactions in a many-body system. For example, kinks detected at 40-70 meV below the Fermi level in the electronic dispersion of high-temperature superconductors are taken as evidence for phonon or spin-fluctuation based pairing mechanisms. Kinks in the electronic dispersion at binding energies ranging from 30 to 800 meV are also found in various other metals posing questions about their origins. Here we report a novel, purely electronic mechanism yielding kinks in the electron dispersions. It applies to strongly correlated metals whose spectral function shows well separated Hubbard subbands and central peak as, for example, in transition metal-oxides. The position of the kinks and the energy range of validity of Fermi-liquid (FL) theory is determined solely by the FL renormalization factor and the bare, uncorrelated band structure. Angle-resolved photoemission spectroscopy (ARPES) experiments at binding energies outside the FL regime can thus provide new, previously unexpected information about strongly correlated electronic systems.

cond-mat.str-el↗

arXiv2006

Evidence for strong electronic correlations in the spectra of Sr$_2$RuO$_4$

The importance of electronic correlation effects in the layered perovskite Sr$_2$RuO$_4$ is evidenced. To this end we use state-of-the-art LDA+DMFT (Local Density Approximation + Dynamical Mean-Field Theory) in the basis of Wannier functions to compute spectral functions and the quasiparticle dispersion of Sr$_2$RuO$_4$. The spectra are found to be in good agreement with various spectroscopic experiments. We also calculate the $\textbf{k}$-dependence of the quasiparticle bands and compare the results with new angle resolved photoemission (ARPES) data. Two typical manifestations of strong Coulomb correlations are revealed: (i) the calculated quasiparticle mass enhancement of $m^*/m \approx2.5$ agrees with various experimental results, and (ii) the satellite structure at about 3 eV binding energy observed in photoemission experiments is shown to be the lower Hubbard band. For these reasons Sr$_2$RuO$_4$ is identified as a strongly correlated 4$d$ electron material.

cond-mat.str-el↗

arXiv2005

Pseudogaps in Strongly Correlated Metals: A generalized dynamical mean-field theory approach

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a momentum dependent ``external'' self-energy S(k). This external self-energy describes non-local dynamical correlations induced by short-ranged collective SDW-like antiferromagnetic spin (or CDW-like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with finite correlation length. This generalized DMFT+Sk approach is used for the numerical solution of the weakly doped one-band Hubbard model with repulsive Coulomb interaction on a square lattice with nearest and next nearest neighbour hopping. The effective single impurity problem in this generalized DMFT+Sk is solved by numerical renormalization group (NRG). Both types of strongly correlated metals, namely (i) doped Mott insulator and (ii) the case of bandwidth W~U (U - value of local Coulomb interaction) are considered. Densities of states, spectral functions and ARPES spectra calculated within DMFT+Sk show a pseudogap formation near the Fermi level of the quasiparticle band.

cond-mat.str-el↗

arXiv2005

Momentum-resolved spectral functions of SrVO$_3$ calculated by LDA+DMFT

LDA+DMFT, the merger of density functional theory in the local density approximation and dynamical mean-field theory, has been mostly employed to calculate k-integrated spectra accessible by photoemission spectroscopy. In this paper, we calculate k-resolved spectral functions by LDA+DMFT. To this end, we employ the Nth order muffin-tin (NMTO) downfolding to set up an effective low-energy Hamiltonian with three t_2g orbitals. This downfolded Hamiltonian is solved by DMFT yielding k-dependent spectra. Our results show renormalized quasiparticle bands over a broad energy range from -0.7 eV to +0.9 eV with small ``kinks'', discernible in the dispersion below the Fermi energy.

cond-mat.str-el↗

arXiv2005

Efficient calculation of the antiferromagnetic phase diagram of the 3D Hubbard model

The Dynamical Cluster Approximation with Betts clusters is used to calculate the antiferromagnetic phase diagram of the 3D Hubbard model at half filling. Betts clusters are a set of periodic clusters which best reflect the properties of the lattice in the thermodynamic limit and provide an optimal finite-size scaling as a function of cluster size. Using a systematic finite-size scaling as a function of cluster space-time dimensions, we calculate the antiferromagnetic phase diagram. Our results are qualitatively consistent with the results of Staudt et al. [Eur. Phys. J. B 17 411 (2000)], but require the use of much smaller clusters: 48 compared to 1000.

cond-mat.str-el↗

arXiv2005

Unusual Non-Fermi Liquid Behavior of Ce$_{1-x}$La$_{x}$Ni$_{9}$Ge$_4$ Analyzed in a Single Impurity Anderson Model with Crystal Field Effects

CeNi$_{9}$Ge$_4$ exhibits unusual non-Fermi liquid behavior with the largest ever recorded value of the electronic specific heat $ΔC/T \cong 5.5$ JK$^{-2}$mol$^{-1}$ without showing any evidence of magnetic order. Specific heat measurements show that the logarithmic increase of the Sommerfeld coefficient flattens off below 200 mK. In marked contrast, the local susceptibility $Δχ$ levels off well above 200 mK and already becomes constant below 1 K. Furthermore, the entropy reaches 2$R$ln2 below 20 K corresponding to a four level system. An analysis of $C$ and $χ$ was performed in terms of an $SU(N=4)$ single impurity Anderson model with additional crystal electric field (CEF) splitting. Numerical renormalization group calculations point to a possible consistent description of the different low temperature scales in $Δc$ and $Δχ$ stemming from the interplay of Kondo effect and crystal field splitting.

cond-mat.str-el↗

arXiv2005

Pseudogaps in Strongly Correlated Metals

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a (momentum dependent) ``external'' self-energy Σ_k. This external self-energy describes non-local dynamical correlations induced by short-ranged collective SDW-like antiferromagnetic spin (or CDW-like charge) fluctuations. At high enough temperatures these fluctuations can be viewed as a quenched Gaussian random field with finite correlation length. This generalized DMFT+Σ_k approach is used for the numerical solution of the weakly doped one--band Hubbard model with repulsive Coulomb interaction on a square lattice with nearest and next nearest neighbour hopping. The effective single impurity problem in this generalized DMFT+Σ_k is solved by numerical renormalization group (NRG). Both types of strongly correlated metals, namely (i) doped Mott insulator and (ii) the case of bandwidth W<=U (U - value of local Coulomb interaction) are considered. Densities of states, spectral functions and ARPES spectra calculated within DMFT+Σ_k show a pseudogap formation near the Fermi level of the quasiparticle band.

cond-mat.str-el↗

arXiv2005

Comparative study of correlation effects in CaVO3 and SrVO3

We present parameter-free LDA+DMFT (local density approximation + dynamical mean field theory) results for the many-body spectra of cubic SrVO3 and orthorhombic CaVO3. Both systems are found to be strongly correlated metals, but not on the verge of a metal-insulator transition. In spite of the considerably smaller V-O-V bond angle in CaVO3 the LDA+DMFT spectra of the two systems for energies E E_F shows more pronounced, albeit still small, differences. This is in contrast to earlier theoretical and experimental conclusions, but in good agreement with recent bulk-sensitive photoemission and x-ray absorption experiments.

cond-mat.str-el↗

arXiv2004

Dynamical Mean-Field Theory and Its Applications to Real Materials

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme for the ab initio investigation of correlated electron materials. The set-up of this approach and its application to materials such as (Sr,Ca)VO_3, V_2O_3, and Cerium is discussed. The calculated spectra are compared with the spectroscopically measured electronic excitation spectra. The surprising similarity between the spectra of the single-impurity Anderson model and of correlated bulk materials is also addressed.

cond-mat.str-el↗

arXiv2004

Unusual Single-Ion Non-Fermi Liquid Behavior in Ce_(1-x)La_xNi_9Ge_4

We report on specific heat, magnetic susceptibility and resistivity measurements on the compound Ce_(1-x)La_xNi_9Ge_4 for various concentrations ranging from the stoichiometric system with x=0 to the dilute limit x=0.95. Our data reveal single-ion scaling with the Ce-concentration and the largest ever recorded value of the electronic specific heat c/T approximately 5.5 J K^(-2)mol^(-1) at T=0.08K for the stoichiometric compound x=0 without any trace of magnetic order. While in the doped samples c/T increases logarithmically below 3K down to 50mK, their magnetic susceptibility behaves Fermi liquid like below 1K. These properties make the compound Ce_(1-x)La_xNi_9Ge_4 a unique system on the borderline between Fermi liquid and non-Fermi liquid physics.

cond-mat.str-el↗