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K. Byczuk

Publications and source records attributed to K. Byczuk.

At least 19 recordsLinked to original sources
arXiv2021

Dynamical mean-field theory of the Anderson-Hubbard model with local and non-local disorder in tensor formulation

To explore correlated electrons in the presence of local and non-local disorder, the Blackman-Esterling-Berk method for averaging over off-diagonal disorder is implemented into dynamical mean-field theory using tensor notation. The impurity model combining disorder and correlations is solved using the recently developed fork tensor-product state solver, which allows one to calculate the single particle spectral functions on the real-frequency axis. In the absence of off-diagonal hopping, we establish exact bounds of the spectral function of the non-interacting Bethe lattice with coordination number $Z$. In the presence of interaction, the Mott insulating paramagnetic phase of the one-band Hubbard model is computed at zero temperature in alloys with site- and off-diagonal disorder. When the Hubbard $U$ parameter is increased, transitions from an alloy band-insulator through a correlated metal into a Mott insulating phase are found to take place.

cond-mat.str-el↗
arXiv2020

Ab initio typical medium theory of substitutional disorder

By merging single-site typical medium theory with density functional theory we introduce a self-consistent framework for electronic structure calculations of materials with substitutional disorder which takes into account Anderson localization. The scheme and details of the implementation are presented and applied to the hypothetical alloy Li$_{c}$Be$_{1-c}$, and the results are compared with those obtained with the coherent potential approximation. Furthermore we demonstrate that Anderson localization suppresses ferromagnetic order for a very low concentration of (i) carbon impurities substituting oxygen in MgO$_{1-c}$C$_{c}$, and (ii) manganese impurities substituting magnesium in Mg$_{1-c}$Mn$_c$O for the low-spin magnetic configuration.

cond-mat.dis-nn↗
arXiv2018

Real-space dynamical mean-field theory of Friedel oscillations in strongly correlated electron systems

We study Friedel oscillations and screening effects of the impurity potential in the Hubbard model. Electronic correlations are accounted for by solving the real-space dynamical mean-field theory equations using the continuous time quantum Monte-Carlo simulations at finite temperatures and using a homogeneous self-energy approximation with the numerical renormalization group at zero temperature. We find that in the Fermi liquid phase both the amplitudes of Friedel oscillations and the screening charge decrease with increasing the interaction and follow the behavior of the Fermi liquid renormalization factor. Inside the Mott insulator regime the Friedel oscillations are absent but the residual screening charge remains finite.

cond-mat.str-el↗
arXiv2017

Multitude of phases in correlated lattice fermion systems with spin-dependent disorder

The magnetic phases induced by the interplay between disorder acting only on particles with a given spin projection ("spin-dependent disorder") and a local repulsive interaction is explored. To this end the magnetic ground state phase diagram of the Hubbard model at half-filling is computed within dynamical mean-field theory combined with the geometric average over disorder, which is able to describe Anderson localization. Five distinct phases are identified: a ferromagnetically polarized metal, two types of insulators, and two types of spin-selective localized phases. The latter four phases possess different long-range order of the spins. The predicted phase diagram may be tested experimentally using cold fermions in optical lattices subject to spin-dependent random potentials.

cond-mat.str-el↗
arXiv2015

Spin-selective localization of correlated lattice fermions

The interplay between local, repulsive interactions and disorder acting only on one spin orientation of lattice fermions ("spin-dependent disorder") is investigated. The nonmagnetic disorder vs. interaction phase diagram is computed using Dynamical Mean-Field Theory in combination with the geometric average over disorder. The latter determines the typical local density of states and is therefore sensitive to Anderson localization. The effect of spin-dependent disorder is found to be very different from that of conventional disorder. In particular, it destabilizes the metallic solution and leads to a novel spin-selective, localized phase at weak interactions and strong disorder.

cond-mat.dis-nn↗
arXiv2013

Thermodynamic properties of correlated fermions in lattices with spin-dependent disorder

Motivated by the rapidly growing possibilities for experiments with ultracold atoms in optical lattices we investigate the thermodynamic properties of correlated lattice fermions in the presence of an external spin-dependent random potential. The corresponding model, a Hubbard model with spin-dependent local random potentials, is solved within dynamical mean-field theory. This allows us to present a comprehensive picture of the thermodynamic properties of this system. In particular, we show that for a fixed total number of fermions spin-dependent disorder induces a magnetic polarization. The magnetic response of the polarized system differs from that of a system with conventional disorder.

cond-mat.str-el↗
arXiv2012

Quantification of correlations in quantum many-particle systems

We introduce a well-defined and unbiased measure of the strength of correlations in quantum many-particle systems which is based on the relative von Neumann entropy computed from the density operator of correlated and uncorrelated states. The usefulness of this general concept is demonstrated by quantifying correlations of interacting electrons in the Hubbard model and in a series of transition-metal oxides using dynamical mean-field theory.

cond-mat.str-el↗
arXiv2011

Dynamical Mean-Field Theory

The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular, the combination of the DMFT with conventional methods for the calculation of electronic band structures has led to a powerful numerical approach which allows one to explore the properties of correlated materials. In this introductory article we discuss the foundations of the DMFT, derive the underlying self-consistency equations, and present several applications which have provided important insights into the properties of correlated matter.

cond-mat.str-el↗
arXiv2010

Localization of correlated fermions in optical lattices with speckle disorder

Strongly correlated fermions in three- and two-dimensional optical lattices with experimentally realistic speckle disorder are investigated. We extend and apply the statistical dynamical mean-field theory, which treats local correlations non-perturbatively, to incorporate on-site and hopping-type randomness on equal footing. Localization due to disorder is detected via the probability distribution function of the local density of states. We obtain a complete paramagnetic ground state phase diagram for experimentally realistic parameters and find a strong suppression of the correlation-induced metal insulator transition due to disorder. Our results indicate that the Anderson-Mott and the Mott insulator are not continuously connected due to the specific character of speckle disorder. Furthermore, we discuss the effect of finite temperature on the single-particle spectral function.

cond-mat.quant-gas↗
arXiv2010

Paired phases and Bose-Einstein condensation of spin-one bosons with attractive interaction

We analyze paired phases of cold bosonic atoms with the hyper spin S=1 and with an attractive interaction. We derive mean-field self-consistent equations for the matrix order parameter describing such paired bosons on an optical lattice. The possible solutions are classified according to their symmetries. In particular, we find that the self-consistent equations for the SO(3) symmetric phase are of the same form as those for the scalar bosons with the attractive interaction. This singlet phase may exhibit either the BCS type pairing instability (BCS phase) or the BEC quasiparticle condensation together with the BCS type pairing (BEC phase) for an arbitrary attraction U_0 in the singlet channel of the two body interaction. We show that both condensate phases become stable if a repulsion U_2 in the quintet channel is above a critical value, which depends on U_0 and other thermodynamic parameters.

cond-mat.quant-gas↗
arXiv2010

Anderson localization vs. Mott-Hubbard metal-insulator transition in disordered, interacting lattice fermion systems

We review recent progress in our theoretical understanding of strongly correlated fermion systems in the presence of disorder. Results were obtained by the application of a powerful nonperturbative approach, the Dynamical Mean-Field Theory (DMFT), to interacting disordered lattice fermions. In particular, we demonstrate that DMFT combined with geometric averaging over disorder can capture Anderson localization and Mott insulating phases on the level of one-particle correlation functions. Results are presented for the ground-state phase diagram of the Anderson-Hubbard model at half filling, both in the paramagnetic phase and in the presence of antiferromagnetic order. We find a new antiferromagnetic metal which is stabilized by disorder. Possible realizations of these quantum phases with ultracold fermions in optical lattices are discussed.

cond-mat.str-el↗
arXiv2010

Correlated electrons in the presence of disorder

Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to compute the ground state phase diagram of the Anderson-Hubbard model at half-filling. This non-perturbative approach is sensitive to Anderson localization on the one-particle level and hence can detect correlated metallic, Mott insulating and Anderson insulating phases and can also describe the competition between Anderson localization and antiferromagnetism. Second, we investigate the effect of binary alloy disorder on ferromagnetism in materials with $f$-electrons described by the periodic Anderson model. A drastic enhancement of the Curie temperature $T_c$ caused by an increase of the local $f$-moments in the presence of disordered conduction electrons is discovered and explained.

cond-mat.str-el↗
arXiv2010

Dynamical mean-field approach to materials with strong electronic correlations

We review recent results on the properties of materials with correlated electrons obtained within the LDA+DMFT approach, a combination of a conventional band structure approach based on the local density approximation (LDA) and the dynamical mean-field theory (DMFT). The application to four outstanding problems in this field is discussed: (i) we compute the full valence band structure of the charge-transfer insulator NiO by explicitly including the p-d hybridization, (ii) we explain the origin for the simultaneously occuring metal-insulator transition and collapse of the magnetic moment in MnO and Fe2O3, (iii) we describe a novel GGA+DMFT scheme in terms of plane-wave pseudopotentials which allows us to compute the orbital order and cooperative Jahn-Teller distortion in KCuF3 and LaMnO3, and (iv) we provide a general explanation for the appearance of kinks in the effective dispersion of correlated electrons in systems with a pronounced three-peak spectral function without having to resort to the coupling of electrons to bosonic excitations. These results provide a considerable progress in the fully microscopic investigations of correlated electron materials.

cond-mat.str-el↗
arXiv2010

Comment on "Dynamical mean field solution of the Bose-Hubbard model"

In their preprint Anders et al. [arXiv:1004.0510] propose a crucial modification of the Bosonic Dynamical Mean-Field Theory (B-DMFT) derived by us [Phys. Rev. B 77, 235106 (2008)]. Here we show that the modification consists of two steps which, in fact, cancel each other. Consequently their self-consistency equations are identical to ours.

cond-mat.str-el↗
arXiv2008

Antiferromagnetic Order of Strongly Interacting Fermions in a Trap: Real-Space Dynamical Mean-Field Analysis

We apply Dynamical Mean-Field Theory to strongly interacting fermions in an inhomogeneous environment. With the help of this Real-Space Dynamical Mean-Field Theory (R-DMFT) we investigate antiferromagnetic states of repulsively interacting fermions with spin 1/2 in a harmonic potential. Within R-DMFT, antiferromagnetic order is found to be stable in spatial regions with total particle density close to one, but persists also in parts of the system where the local density significantly deviates from half filling. In systems with spin imbalance, we find that antiferromagnetism is gradually suppressed and phase separation emerges beyond a critical value of the spin imbalance.

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↗
arXiv2005

Green functions for nearest- and next-nearest-neighbor hopping on the Bethe lattice

We calculate the local Green function for a quantum-mechanical particle with hopping between nearest and next-nearest neighbors on the Bethe lattice, where the on-site energies may alternate on sublattices. For infinite connectivity the renormalized perturbation expansion is carried out by counting all non-self-intersecting paths, leading to an implicit equation for the local Green function. By integrating out branches of the Bethe lattice the same equation is obtained from a path integral approach for the partition function. This also provides the local Green function for finite connectivity. Finally, a recently developed topological approach is extended to derive an operator identity which maps the problem onto the case of only nearest-neighbor hopping. We find in particular that hopping between next-nearest neighbors leads to an asymmetric spectrum with additional van-Hove singularities.

cond-mat.str-el↗