arXiv subjects

J. K. Freericks

Publications and source records attributed to J. K. Freericks.

At least 127 records · Page 7Linked to original sources

arXiv2010

Effect of vertex corrections on the longitudinal transport through multilayered nanostructures: Exact dynamical mean-field theory approach applied to the inhomogeneous Falicov-Kimball model

Inhomogeneous dynamical mean-field theory is employed to calculate the vertex-corrected electronic charge transport for multilayered devices composed of semi-infinite metallic lead layers coupled through a strongly correlated material barrier region. The barrier region can be tuned from a metal to a Mott insulator through adjusting the interaction strength and the particle filling. We use the Falicov-Kimball model to describe the barrier region because an exact expression for the vertex corrections is known, allowing us to determine their effect on transport. The dc conductivity is calculated and we find the effects of the vertex corrections are relatively small, manifesting themselves in a small reduction in the resistance-area product. This reduction saturates in absolute magnitude as the barrier layer becomes thick, as expected due to the vanishing nature of the vertex corrections in bulk. The vertex corrections have a larger relative effect on the resistance-area product for more metallic and thinner devices.

cond-mat.str-el↗

arXiv2010

Resonant Raman scattering effects in a nesting driven charge-density-wave insulator: exact analysis of the spinless Falicov-Kimball model with dynamical mean-field theory

We calculate the total electronic Raman scattering spectrum for a system with a charge density wave on an infinite-dimensional hypercubic lattice. The problem is solved exactly for the spinless Falicov-Kimball model with dynamical mean-field theory. We include the nonresonant, mixed, and resonant contributions in three common experimental polarizations, and analyze the response functions for representative values of the energy of the incident photons. The complicated scattering response can be understood from the significant temperature dependence of the many-body density of states, and includes a huge enhancement for photon frequencies near the charge-density-wave gap energy.

cond-mat.str-el↗

arXiv2010

Quantum Simulation and Phase Diagram of the Transverse Field Ising Model with Three Atomic Spins

We perform a quantum simulation of the Ising model with a transverse field using a collection of three trapped atomic ion spins. By adiabatically manipulating the Hamiltonian, we directly probe the ground state for a wide range of fields and form of the Ising couplings, leading to a phase diagram of magnetic order in this microscopic system. The technique is scalable to much larger numbers of trapped ion spins, where phase transitions approaching the thermodynamic limit can be studied in cases where theory becomes intractable.

quant-ph↗

arXiv2010

Temporal response of nonequilibrium correlated electrons

In this work we examine the time-resolved, instantaneous current response for the spinless Falicov-Kimball model at half-filling, on both sides of the Mott-Hubbard metal-insulator transition, driven by a strong electric field pump pulse. The results are obtained using an exact, nonequilibrium, many-body impurity solution specifically designed to treat the out-of-equilibrium evolution of electrons in time-dependent fields. We provide a brief introduction to the method and its computational details. We find that the current develops Bloch oscillations, similar to the case of DC driving fields, with an additional amplitude modulation, characterized by beats and induced by correlation effects. Correlations primarily manifest themselves through an overall reduction in magnitude and shift in the onset time of the current response with increasing interaction strength.

cond-mat.str-el↗

arXiv2010

Time-resolved photoemission of correlated electrons driven out of equilibrium

We describe the temporal evolution of the time-resolved photoemission response of the spinless Falicov-Kimball model driven out of equilibrium by strong applied fields. The model is one of the few possessing a metal-insulator transition and admitting an exact solution in the time domain. The nonequilibrium dynamics, evaluated using an extension of dynamical mean-field theory, show how the driven system differs from two common viewpoints - a quasiequilibrium system at an elevated effective temperature (the "hot" electron model) or a rapid interaction quench ("melting" of the Mott gap) - due to the rearrangement of electronic states and redistribution of spectral weight. The results demonstrate the inherent trade-off between energy and time resolution accompanying the finite width probe pulses, characteristic of those employed in pump-probe time-domain experiments, which can be used to focus attention on different aspects of the dynamics near the transition.

cond-mat.str-el↗

arXiv2009

Dynamical mean-field theory for light fermion--heavy boson mixtures on optical lattices

We theoretically analyze Fermi-Bose mixtures consisting of light fermions and heavy bosons that are loaded into optical lattices (ignoring the trapping potential). To describe such mixtures, we consider the Fermi-Bose version of the Falicov-Kimball model on a periodic lattice. This model can be exactly mapped onto the spinless Fermi-Fermi Falicov-Kimball model at zero temperature for all parameter space as long as the mixture is thermodynamically stable. We employ dynamical mean-field theory to investigate the evolution of the Fermi-Bose Falicov-Kimball model at higher temperatures. We calculate spectral moment sum rules for the retarded Green's function and self-energy, and use them to benchmark the accuracy of our numerical calculations, as well as to reduce the computational cost by exactly including the tails of infinite summations or products. We show how the occupancy of the bosons, single-particle many-body density of states for the fermions, momentum distribution, and the average kinetic energy evolve with temperature. We end by briefly discussing how to experimentally realize the Fermi-Bose Falicov-Kimball model in ultracold atomic systems.

cond-mat.quant-gas↗

arXiv2009

Improving the efficiency of ultracold dipolar molecule formation by first loading onto an optical lattice

Ultracold ground state dipolar 40K-87Rb molecules have recently been produced in a loose harmonic trap by employing a magnetic field sweep across a Feshbach resonance followed by stimulated Raman adiabatic passage [K.-K. Ni et al., Science 322, 231 (2008)]. The overall experimental efficiency for molecule formation was around 20%. We show that the efficiency can be increased to nearly 100% if one first loads the atomic gases into an optical lattice of the appropriate depth and tunes the interspecies attraction to have exactly one atom of each species at an occupied lattice site. Our proposed scheme provides a large enhancement to the dipolar molecule density even at relatively high temperatures, and avoids three-body recombination loss by preventing lattice sites from being triply occupied.

cond-mat.quant-gas↗

arXiv2009

Inhomogeneous spectral moment sum rules for the retarded Green function and self-energy of strongly correlated electrons or ultracold fermionic atoms in optical lattices

Spectral moment sum rules are presented for the inhomogeneous many-body problem described by the fermionic Falicov-Kimball or Hubbard models. These local sum rules allow for arbitrary hoppings, site energies, and interactions. They can be employed to quantify the accuracy of numerical solutions to the inhomogeneous many-body problem like strongly correlated multilayered devices, ultracold atoms in an optical lattice with a trap potential, strongly correlated systems that are disordered, or systems with nontrivial spatial ordering like a charge density wave or a spin density wave. We also show how the spectral moment sum rules determine the asymptotic behavior of the Green function, self-energy, and dynamical mean field, when applied to the dynamical mean-field theory solution of the many body problem. In particular, we illustrate in detail how one can dramatically reduce the number of Matsubara frequencies needed to solve the Falicov-Kimball model, while still retaining high precision, and we sketch how one can incorporate these results into Hirsch-Fye quantum Monte Carlo solvers for the Hubbard (or more complicated) models. Since the solution of inhomogeneous problems is significantly more time consuming than periodic systems, efficient use of these sum rules can provide a dramatic speed up in the computational time required to solve the many-body problem. We also discuss how these sum rules behave in nonequilibrium situations as well, where the Hamiltonian has explicit time dependence due to a driving field or due to the time-dependent change of a parameter like the interaction strength or the origin of the trap potential.

cond-mat.str-el↗

arXiv2009

Total electronic Raman scattering in the charge-density-wave phase of the spinless Falicov-Kimball model

The total electronic Raman scattering spectrum, including the nonresonant, mixed and resonant components, is determined for the charge-density-wave (CDW) phase of the spinless Falicov-Kimball model at half filling within dynamical mean-field theory. Its frequency dependence is investigated for different values of the energy of the incident photons. The spectra reflect the different structures in the density of states and how they are modified by screening and resonance effects. The calculations are performed for the $B_{\rm 1g}$, $B_{\rm 2g}$ and $A_{\rm 1g}$ symmetries (which are typically examined in experiment). Our results for the resonance effects of the Raman spectra, found by tuning the energy of the incident photons, give information about the many-body charge dynamics of the CDW-ordered phase.

cond-mat.str-el↗

arXiv2009

Momentum distribution of the insulating phases of the extended Bose-Hubbard model

We develop two methods to calculate the momentum distribution of the insulating (Mott and charge-density-wave) phases of the extended Bose-Hubbard model with on-site and nearest-neighbor boson-boson repulsions on $d$-dimensional hypercubic lattices. First we construct the random phase approximation result, which corresponds to the exact solution for the infinite-dimensional limit. Then we perform a power-series expansion in the hopping $t$ via strong-coupling perturbation theory, to evaluate the momentum distribution in two and three dimensions; we also use the strong-coupling theory to verify the random phase approximation solution in infinite dimensions. Finally, we briefly discuss possible implications of our results in the context of ultracold dipolar Bose gases with dipole-dipole interactions loaded into optical lattices.

cond-mat.str-el↗

arXiv2009

Nonresonant Raman and inelastic X-ray scattering in the charge-density-wave phase of the spinless Falicov-Kimball model

Nonresonant inelastic light and X-ray scattering is investigated for the spinless Falicov-Kimball model on an infinite-dimensional hypercubic lattice with a charge-density-wave phase at half filling. The many-body density of states (DOS) is found for different values of the Coulomb repulsion $U$, ranging from a dirty metal to a Mott insulator. At zero temperature, the charge gap is exactly equal to $U$; increasing the temperature rapidly fills the gap with subgap states. The nonresonant response function for Raman and inelastic X-ray scattering shows peaks connected with transitions over the gap and transitions that involve subgap states. In the case of X-ray scattering (when both energy and momentum are transferred), the response function illustrates features of dynamical screening (vertex corrections) in the different (nonresonant) symmetry channels ($A_{\rm 1g}$ and $B_{\rm 1g}$). We also derive and verify the first moment sum rules for the (nonresonant) Raman and inelastic X-ray response functions.

cond-mat.str-el↗

arXiv2009

Strong-coupling perturbation theory for the extended Bose-Hubbard model

We develop a strong-coupling perturbation theory for the extended Bose-Hubbard model with on-site and nearest-neighbor boson-boson repulsions on ($d > 1$)-dimensional hypercubic lattices. Analytical expressions for the ground-state phase boundaries between the incompressible (Mott or charge-density-wave insulators) and the compressible (superfluid or supersolid) phases are derived up to third order in the hopping $t$. We also briefly discuss possible implications of our results in the context of ultracold dipolar Bose gases with dipole-dipole interactions loaded into optical lattices.

cond-mat.str-el↗

arXiv2009

Impurity problems for steady-state nonequilibrium dynamical mean-field theory

The mapping of steady-state nonequilibrium dynamical mean-field theory from the lattice to the impurity is described in detail. Our focus is on the case with current flow under a constant dc electric field of arbitrary magnitude. In addition to formulating the problem via path integrals and functional derivatives, we also describe the distribution function dependence of the retarded and advanced Green's functions. Our formal developments are exact for the Falicov-Kimball model. We also show how these formal developments are modified for more complicated models (like the Hubbard model).

cond-mat.str-el↗

arXiv2009

Strong-coupling expansion for the momentum distribution of the Bose Hubbard model with benchmarking against exact numerical results

A strong-coupling expansion for the Green's functions, self-energies and correlation functions of the Bose Hubbard model is developed. We illustrate the general formalism, which includes all possible inhomogeneous effects in the formalism, such as disorder, or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third-order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator to superfluid transition along with a generalization of the RPA-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions; the accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling theory results are benchmarked against numerically exact QMC simulations in two and three dimensions and against DMRG calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.

cond-mat.other↗

arXiv2008

F-electron spectral function of the Falicov-Kimball model and the Wiener-Hopf sum equation approach

We derive an alternative representation for the $f$-electron spectral function of the Falicov-Kimball model from the original one proposed by Brandt and Urbanek. In the new representation, all calculations are restricted to the real time axis, allowing us to go to arbitrarily low temperatures. The general formula for the retarded Green's function involves two determinants of continuous matrix operators that have the Toeplitz form. By employing the Wiener-Hopf sum equation approach and Szegö's theorem, we can derive exact analytic formulas for the large-time limits of the Green's function; we illustrate this for cases when the logarithm of characteristic function (which defines the continuous Toeplitz matrix) does and does not wind around the origin. We show how accurate these asymptotic formulas are to the exact solutions found from extrapolating matrix calculations to the zero discretization size limit.

cond-mat.str-el↗

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

Enhancement of thermal transport in the degenerate periodic Anderson model

The low-temperature transport coefficients of the degenerate periodic SU(N) Anderson model are calculated in the limit of infinite correlation between {\it f} electrons, within the framework of dynamical mean-field theory. We establish the Fermi liquid (FL) laws in the clean limit, taking into account the quasiparticle damping. The latter yields a reduced value of the Lorenz number in the Wiedemann-Franz law. Our results indicate that the renormalization of the thermal conductivity and of the Seebeck coefficient can lead to a substantial enhancement of the electronic thermoelectric figure-of-merit at low temperature. Using the FL laws we discuss the low-temperature anomalies that show up in the electrical resistance of the intermetallic compounds with Cerium and Ytterbium ions, when studied as a function of pressure. Our calculations explain the sharp maximum of the coefficient of the $T^2$-term of the electrical resistance and the rapid variation of residual resistance found in a number of Ce and Yb intermetallics at some critical pressure.

cond-mat.str-el↗