SearcharxivSearch

arXiv subjects

K. Balzer

Publications and source records attributed to K. Balzer.

At least 19 recordsLinked to original sources

Ion Impact Induced Ultrafast Electron Dynamics in Correlated Materials and Finite Graphene Clusters

Strongly correlated systems of fermions have an interesting phase diagram arising from the Hubbard gap. Excitation across the gap leads to the formation of doubly occupied lattice sites (doublons). This state offers interesting electronic and optical properties. Moreover, when the system is driven out of equilibrium interesting collective dynamics may arise that are related to the spatial propagation of doublons. Here, a novel mechanism that was recently proposed by us [Balzer \textit{et al.}, submitted for publication] is verified by exact diagonalization and nonequilibrium Green functions (NEGF) simulations---fermionic doublon creation by the impact of energetic ions. We report the formation of a nonequilibrium steady state with homogeneous doublon distribution. A physically intuitive picture is given in terms of an analytical model for a two-site system where the doublon formation is explained in terms of a two-fold passage of an avoided crossing (Landau-Zener picture). The effect should be particularly important for strongly correlated finite systems, such as graphene nanoribbons, and directly observable with fermionic atoms in optical lattices. We demonstrate that doublon formation and propagation in correlated lattice systems can be accurately simulated with NEGF. In addition to two-time results we present single-time results within the generalized Kadanoff-Baym ansatz (GKBA) with Hartree-Fock propagators (HF-GKBA), and we present systematic improvements that use correlated propagators (correlated GKBA).

cond-mat.str-el

Ultrafast and reversible control of the exchange interaction in Mott insulators

The strongest interaction between microscopic spins in magnetic materials is the exchange interaction $J_\text{ex}$. Therefore, ultrafast control of $J_\text{ex}$ holds the promise to control spins on ultimately fast timescales. We demonstrate that time-periodic modulation of the electronic structure by electric fields can be used to reversibly control $J_\text{ex}$ on ultrafast timescales in extended antiferromagnetic Mott insulators. In the regime of weak driving strength, we find that $J_\text{ex}$ can be enhanced and reduced for frequencies below and above the Mott gap, respectively. Moreover, for strong driving strength, even the sign of $J_\text{ex}$ can be reversed and we show that this causes time reversal of the associated quantum spin dynamics. These results suggest wide applications, not only to control magnetism in condensed matter systems, for example, via the excitation of spin resonances, but also to assess fundamental questions concerning the reversibility of the quantum many-body dynamics in cold atom systems.

cond-mat.str-el

Field-assisted doublon manipulation in the Hubbard model. A quantum doublon ratchet

For the fermionic Hubbard model at strong coupling, we demonstrate that directional transport of localized doublons (repulsively bound pairs of two particles occupying the same site of the crystal lattice) can be achieved by applying an unbiased ac field of time-asymmetric (sawtooth-like) shape. The mechanism involves a transition to intermediate states of virtually zero double occupation which are reached by splitting the doublon by fields of the order of the Hubbard interaction. The process is discussed on the basis of numerically exact calculations for small clusters, and we apply it to more complex states to manipulate the charge order pattern of one-dimensional systems.

cond-mat.str-el

Dynamics of Hubbard nano-clusters following strong excitation

The Hubbard model is a prototype for strongly correlated electrons in condensed matter, for molecules and fermions or bosons in optical lattices. While the equilibrium properties of these systems have been studied in detail, the excitation and relaxation dynamics following a perturbation of the system are only poorly explored. Here, we present results for the dynamics of electrons following nonlinear strong excitation that are based on a nonequilibrium Green functions approach. We focus on small systems---"Hubbard nano-clusters"---that contain just a few particles where, in addition to the correlation effects, finite size effects and spatial inhomegeneity can be studied systematically.

cond-mat.str-el

Few-particle quantum dynamics---comparing Nonequilibrium Green's functions with the generalized Kadanoff-Baym ansatz to density operator theory

The nonequilibrium description of quantum systems requires, for more than two or three particles, the use of a reduced description to be numerically tractable. Two possible approaches are based on either reduced density matrices or nonequilibrium Green's functions (NEGF). Both concepts are formulated in terms of hierarchies of coupled equations---the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for the reduced density operators and the Martin-Schwinger-hierarchy (MS) for the Green's functions, respectively. In both cases, similar approximations are introduced to decouple the hierarchy, yet still many questions regarding the correspondence of both approaches remain open.

cond-mat.str-el

The generalized Kadanoff-Baym ansatz. Computing nonlinear response properties of finite systems

For a minimal Hubbard-type system at different interaction strengths U, we investigate the density-response for an excitation beyond the linear regime using the generalized Kadanoff-Baym ansatz (GKBA) and the second Born (2B) approximation. We find strong correlation features in the response spectra and establish the connection to an involved double excitation process. By comparing approximate and exact Green's function results, we also observe an anomalous U-dependence of the energy of this double excitation in 2B+GKBA. This is in accordance with earlier findings [K. Balzer et al., EPL 98, 67002 (2012)] on double excitations in quantum wells.

cond-mat.str-el

Nonequilibrium Green's function approach to the pair distribution function of quantum many-body systems out of equilibrium

The pair distribution function (PDF) is a key quantity for the analysis of correlation effects of a quantum system both in equilibrium and far from equilibrium. We derive an expression for the PDF in terms of the single-particle Green's functions---the solutions of the Keldysh/Kadanoff-Baym equations in the two-time plane---for a one- or two-component system. The result includes initial correlations and generalizes previous density matrix expressions from single-time quantum kinetic theory. Explicit expressions for the PDF are obtained in second Born approximation.

cond-mat.str-el

Non-equilibrium Green's function approach to inhomogeneous quantum many-body systems using the Generalized Kadanoff Baym Ansatz

In non-equilibrium Green's function calculations the use of the Generalized Kadanoff-Baym Ansatz (GKBA) allows for a simple approximate reconstruction of the two-time Green's function from its time-diagonal value. With this a drastic reduction of the computational needs is achieved in time-dependent calculations, making longer time propagation possible and more complex systems accessible. This paper gives credit to the GKBA that was introduced 25 years ago. After a detailed derivation of the GKBA, we recall its application to homogeneous systems and show how to extend it to strongly correlated, inhomogeneous systems. As a proof of concept, we present results for a 2-electron quantum well, where the correct treatment of the correlated electron dynamics is crucial for the correct description of the equilibrium and dynamic properties.

cond-mat.str-el

Electronic double-excitations in quantum wells: solving the two-time Kadanoff-Baym equations

For a quantum many-body system, the direct population of states of double-excitation character is a clear indication that correlations importantly contribute to its nonequilibrium properties. We analyze such correlation-induced transitions by propagating the nonequilibrium Green's functions in real-time within the second Born approximation. As crucial benchmarks, we compute the absorption spectrum of few electrons confined in quantum wells of different width. Our results include the full two-time solution of the Kadanoff-Baym equations as well as of their time-diagonal limit and are compared to Hartree-Fock and exact diagonalization data.

cond-mat.str-el

Time-dependent second Born calculations for model atoms and molecules in strong laser fields

Using the finite-element discrete variable representation of the nonequilibrium Green's function (NEGF) we extend previous work [K.~Balzer et al., Phys. Rev. A \textbf{81}, 022510 (2010)] to nonequilibrium situations and compute---from the two-time Schwinger-Keldysh-Kadanoff-Baym equations---the response of the helium atom and the heteronuclear molecule lithium hydride to laser fields in the uv and xuv regime. In particular, by comparing the one-electron density and the dipole moment to time-dependent Hartree-Fock results on one hand and the full solution of the time-dependent Schr\"odinger equation on the other hand, we demonstrate that the time-dependent second Born approximation carries valuable information about electron-electron correlation effects. Also, we outline an efficient distributed memory concept which enables a parallel and well scalable algorithm for computing the NEGF in the two-time domain.

physics.atom-ph

Electronic correlations in double ionization of atoms in pump-probe experiments

The ionization dynamics of a two-electron atom in an attosecond XUV-infrared pump-probe experiment is simulated by solving the time-dependent two-electron Schr\"odinger equation. A dramatic change of the double ionization (DI) yield with variation of the pump-probe delay is reported and the governing role of electron-electron correlations is shown. The results allow for a direct control of the DI yield and of the relative strength of double and single ionization.

physics.atom-ph

Efficient grid-based method in nonequilibrium Green's function calculations. Application to model atoms and molecules

We propose and apply the finite-element discrete variable representation to express the nonequilibrium Green's function for strongly inhomogeneous quantum systems. This method is highly favorable against a general basis approach with regard to numerical complexity, memory resources, and computation time. Its flexibility also allows for an accurate representation of spatially extended hamiltonians, and thus opens the way towards a direct solution of the two-time Schwinger/Keldysh/Kadanoff-Baym equations on spatial grids, including e.g. the description of highly excited states in atoms. As first benchmarks, we compute and characterize, in Hartree-Fock and second Born approximation, the ground states of the He atom, the H$_2$ molecule and the LiH molecule in one spatial dimension. Thereby, the ground-state/binding energies, densities and bond-lengths are compared with the direct solution of the time-dependent Schr\"odinger equation.

cond-mat.str-el

Quantum kinetic approach to time-resolved photoionization of atoms

Theoretical approaches to the photoionization of few-electron atoms are discussed. These include nonequilibrium Greens functions and wave function based approaches. In particular, the Multiconfiguration Time-Dependent Hartree-Fock method is discussed and applied to a model one-dimensional atom with four electrons. We compute ground state energies and the time-dependent photoionization by the field a strong laser pulse with two different frequencies in the ultraviolet.

physics.atom-ph

Quantum breathing mode of trapped bosons and fermions at arbitrary coupling

An analysis of the quantum breathing behavior of few-particle Coulomb systems in one- and two-dimensional harmonic traps is presented. We report the existence of \emph{two independent breathing modes} and present exact numerical results for two particles at any coupling strength which smoothly connect the two known limits of an \emph {ideal} quantum and a strongly coupled \emph {classical} system. Substantial differences in the breathing frequency of two-dimensional fermions and bosons are observed which may be used as a sensitive experimental tool to probe confined interacting quantum systems.

quant-ph

Nonequilibrium Green function approach to photoionization processes in atoms

We present a quantum kinetic approach for the time-resolved description of many-body effects in photoionization processes in atoms. The method is based on the non-equilibrium Green functions formalism and solves the Keldysh/Kadanoff-Baym equations in second Born approximation. An approximation scheme is introduced and discussed, which provides a complete single-particle description of the continuum, while the atom is treated fully correlated.

physics.atom-ph

Nonequilibrium Green's functions approach to strongly correlated few-electron quantum dots

The effect of electron-electron scattering on the equilibrium properties of few-electron quantum dots is investigated by means of nonequilibrium Green's functions theory. The ground and equilibrium state is self-consistently computed from the Matsubara (imaginary time) Green's function for the spatially inhomogeneous quantum dot system whose constituent charge carriers are treated as spin-polarized. To include correlations, the Dyson equation is solved, starting from a Hartree-Fock reference state, within a conserving (second order) self-energy approximation where direct and exchange contributions to the electron-electron interaction are included on the same footing. We present results for the zero and finite temperature charge carrier density, the orbital-resolved distribution functions and the self-consistent total energies and spectral functions for isotropic, two-dimensional parabolic confinement as well as for the limit of large anisotropy--quasi-one-dimensional entrapment. For the considered quantum dots with N=2, 3 and 6 electrons, the analysis comprises the crossover from Fermi gas/liquid (at large carrier density) to Wigner molecule or crystal behavior (in the low-density limit).

cond-mat.mes-hall

On the Coulomb-dipole transition in mesoscopic classical and quantum electron-hole bilayers

We study the Coulomb-to-dipole transition which occurs when the separation $d$ of an electron-hole bilayer system is varied with respect to the characteristic in-layer distances. An analysis of the classical ground state configurations for harmonically confined clusters with $N\leq30$ reveals that the energetically most favorable state can differ from that of two-dimensional pure dipole or Coulomb systems. Performing a normal mode analysis for the N=19 cluster it is found that the lowest mode frequencies exhibit drastic changes when $d$ is varied. Furthermore, we present quantum-mechanical ground states for N=6, 10 and 12 spin-polarized electrons and holes. We compute the single-particle energies and orbitals in self-consistent Hartree-Fock approximation over a broad range of layer separations and coupling strengths between the limits of the ideal Fermi gas and the Wigner crystal.

cond-mat.str-el

Invariance of the Kohn (sloshing) mode in a conserving theory

It is proven that the center of mass (COM or Kohn) oscillation of a many-body system in a harmonic trap coincides with the motion of a single particle as long as conserving approximations are applied to treat the interactions. The two conditions formulated by Kadanoff and Baym \cite{kb-book} are shown to be sufficient to preserve the COM mode. The result equally applies to zero and finite temperature, as well as to nonequilibrium situations, and to the linear and nonlinear response regimes.

cond-mat.stat-mech