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arXiv:1603.03592 · Physical Review A

Properties of the single-site reduced density matrix in the Bose-Bose resonance model in the ground state and in quantum quenches

Florian Dorfner, Fabian Heidrich‐Meisner

Published Jun 20, 2016• 9 citations
arXivHTMLPDF

Abstract

We study properties of the single-site reduced density matrix in the Bose-Bose resonance model as a function of system parameters. This model describes a single-component Bose gas with a resonant coupling to a diatomic molecular state, here defined on a lattice. A main goal is to demonstrate that the eigenstates of the single-site reduced density matrix have structures that are characteristic for the various quantum phases of this system. Since the Hamiltonian conserves only the global particle number but not the number of bosons and molecules individually, these eigenstates, referred to as optimal modes, can be nontrivial linear combinations of bare eigenstates of the molecular and boson particle number. We numerically analyze the optimal modes and their weights, the latter giving the importance of the corresponding state, in the ground state of the Bose-Bose resonance model. We find that the single-site von Neumann entropy is sensitive to the location of the phase boundaries. We explain the structure of the optimal modes and their weight spectra using perturbation theory and via a comparison to results for the single-component Bose-Hubbard model. We further study the dynamical evolution of the optimal modes and of the single-site entanglement entropy in two quantum quenches that cross phase boundaries of the model and show that these quantities are thermal in the steady state. For our numerical calculations, we use the density-matrix renormalization group method for ground-state calculations and time evolution in a Krylov subspace for the quench dynamics as well as exact diagonalization.

DOI
10.1103/physreva.93.063624

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We study properties of the single-site reduced density matrix in the Bose-Bose resonance model as a function of system parameters. This model describes a single-component Bose gas with a resonant coupling to a diatomic molecular state, here defined on a lattice. A main goal is to demonstrate that the eigenstates of the single-site reduced density matrix have structures that are characteristic for the various quantum phases of this system. Since the Hamiltonian conserves only the global particle number but not the number of bosons and molecules individually, these eigenstates, referred to as optimal modes, can be nontrivial linear combinations of bare eigenstates of the molecular and boson particle number. We numerically analyze the optimal modes and their weights, the latter giving the importance of the corresponding state, in the ground state of the Bose-Bose resonance model. We find that the single-site von Neumann entropy is sensitive to the location of the phase boundaries. We explain the structure of the optimal modes and their weight spectra using perturbation theory and via a comparison to results for the single-component Bose-Hubbard model. We further study the dynamical evolution of the optimal modes and of the single-site entanglement entropy in two quantum quenches that cross phase boundaries of the model and show that these quantities are thermal in the steady state. For our numerical calculations, we use the density-matrix renormalization group method for ground-state calculations and time evolution in a Krylov subspace for the quench dynamics as well as exact diagonalization.
We use strong-coupling perturbation theory, the variational cluster approach (VCA), and the dynamical density-matrix renormalization group (DDMRG) method to investigate static and dynamical properties of the one-dimensional Bose--Hubbard model in both the Mott-insulating and superfluid phases. From the von Neumann entanglement entropy we determine the central charge and the transition points for the first two Mott lobes. Our DMRG results for the ground-state energy, momentum distribution function, boson correlation function decay, Mott gap, and single-particle spectral function are reproduced very well by the strong-coupling expansion to fifth order, and by VCA with clusters up to 12 sites as long as the ratio between the hopping amplitude and onsite repulsion, t/Ut/Ut/U, is smaller than 0.15 and 0.25, respectively. In addition, in the superfluid phase VCA captures well the ground-state energy and the sound velocity of the linear phonon modes. This comparison provides an authoritative estimate for the range of applicability of these methods. In strong-coupling theory for the Mott phase, the dynamical structure factor is obtained from the solution of an effective single-particle problem with an attractive potential. The resulting resonances show up as double-peak structures close to the Brillouin zone boundary. These high-energy features also appear in the superfluid phase which is characterized by a pronounced phonon mode at small momenta and energies, as predicted by Bogoliubov and field theory. In one dimension, there are no traces of an amplitude mode in the dynamical single-particle and two-particle correlation functions.
We use the density-matrix renormalization group method to investigate ground-state and dynamic properties of the one-dimensional Bose-Hubbard model, the effective model of ultracold bosonic atoms in an optical lattice. For fixed maximum site occupancy n b = 5, we calculate the phase boundaries between the Mott insulator and the "superfluid" phase for the lowest two Mott lobes. We extract the Tomonaga-Luttinger parameter from the density-density correlation function and determine accurately the critical interaction strength for the Mott transition. For both phases, we study the momentum distribution function in the homogeneous system, and the particle distribution and quasi-momentum distribution functions in a parabolic trap. With our zero-temperature method we determine the photoemission spectra in the Mott insulator and in the "superfluid" phase of the one-dimensional Bose-Hubbard model. In the insulator, the Mott gap separates the quasi-particle and quasi-hole dispersions. In the "superfluid" phase the spectral weight is concentrated around zero momentum.
Motivated by recent experiments, we study the relaxation dynamics and thermalization in the one-dimensional Bose-Hubbard model induced by a global interaction quench. Specifically, we start from an initial state that has exactly one boson per site and is the ground state of a system with infinitely strong repulsive interactions at unit filling. Using exact diagonalization and the density-matrix renormalization-group method, we compute the time dependence of such observables as the multiple occupancy and the momentum distribution function. Typically, the relaxation to stationary values occurs over just a few tunneling times. The stationary values are identical to the so-called diagonal ensemble on the system sizes accessible to our numerical methods and we further observe that the microcanonical ensemble describes the time averages of many observables reasonably well for small and intermediate interaction strength. The expectation values of observables in the canonical ensemble agree quantitatively with the time averages obtained from the quench at small interaction strengths, and qualitatively provide a good description even in parameter regimes where the microcanonical ensemble is not applicable due to finite-size effects. We discuss our numerical results in the framework of the eigenstate thermalization hypothesis. Moreover, we also observe that the diagonal and the canonical ensembles are practically identical for our initial conditions already on the level of their respective energy distributions for small interaction strengths. Finally, we discuss implications of our results for the interpretation of a recent sudden expansion experiment [Phys. Rev. Lett. 110, 205301 (2013)], in which the same interaction quench was realized.
We study the effect of different open boundary conditions on the insulating ground states of the one-dimensional extended Bose-Hubbard model at and near unit filling. To this end, we employ the density-matrix renormalization-group method with system sizes up to 250 sites. To characterize the system, various order parameters and entanglement entropies are calculated. When opposite edge potentials are added to the two ends of the chain, the inversion symmetry is explicitly broken, and the regular bulk phases appear. On the other hand, simple open boundary conditions often exhibit nondegenerate ground states with a domain wall in the middle of the chain, which induces a sign flip of an order parameter. Such a domain wall can lead to an algebraic behavior of the off diagonals of the single-particle density matrix. We show that this algebraic behavior adds only a finite contribution to the entanglement entropy, which does not diverge as the system size increases. Therefore, it is not an indication of a superfluid phase. We confirm this picture by analytical calculations based on an effective Hamiltonian for a domain wall.
We employ the (dynamical) density-matrix renormalization-group technique to investigate the ground-state properties of the Bose-Hubbard model with nearest-neighbor transfer amplitudes ttt and local two-body and three-body repulsion of strength UUU and WWW, respectively. We determine the phase boundaries between the Mott-insulating and superfluid phases for the lowest two Mott lobes from the chemical potentials. We calculate the tips of the Mott lobes from the Tomonaga-Luttinger liquid parameter and confirm the positions of the Kosterlitz-Thouless points from the von Neumann entanglement entropy. We find that physical quantities in the second Mott lobe such as the gap and the dynamical structure factor scale almost perfectly in t/(U+W)t/(U+W)t/(U+W), even close to the Mott transition. Strong-coupling perturbation theory shows that there is no true scaling but deviations from it are quantitatively small in the strong-coupling limit. This observation should remain true in higher dimensions and for not too large attractive three-body interactions.
While the eigenstate entanglement entropy has been extensively studied for fermionic systems, much less is known about bosonic systems. Here, we study the entanglement entropy of mid-spectrum eigenstates of Bose-Hubbard models, focusing on weakly disordered models with and without particle-number conservation, and contrasting them with the translationally-invariant model. We analyze the volume-law and O(1) contributions to the entanglement entropy via the averages over mid-spectrum eigenstates and the corresponding distributions. We derive the volume-law coefficient of the entanglement entropy by generalizing the mean-field approach from [Phys. Rev. Lett. 119, 220603 (2017)] to many-body systems with a tunable local bosonic cutoff, which agrees with previous analytical and numerical results from [Phys. Rev. B 110, 235154 (2024)]. We show that the volume-law contribution to the entanglement entropy does not change upon breaking translational invariance via on-site disorder. We then numerically study the role of the subleading O(1) contribution to the entanglement entropy. We find that, in the particle-number conserving case, it exhibits a nontrivial dependence on the particle-number density and the local bosonic cutoff, while without particle-number conservation, results suggest the emergence of a universal O(1) contribution beyond the random pure state predictions.