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arXiv:2111.00085 · Physical review. B./Physical review. B

Quantum correlations, entanglement spectrum, and coherence of the two-particle reduced density matrix in the extended Hubbard model

Diego L. B. Ferreira, Thiago O. Maciel, Reinaldo O. Vianna, Fernando Iemini

Published Mar 31, 2022• 36 citations
arXivHTMLPDF

Abstract

We study the ground state properties of the one-dimensional extended Hubbard model at half filling from the perspective of its particle reduced density matrix. We focus on the reduced density matrix of two fermions and perform an analysis of its quantum correlations and coherence along the different phases of the model. Specifically, we study its (i) entanglement entropy, (ii) ${\ensuremath{\ell}}_{1}$ norm of coherence, (iii) irreducible two-body cumulant matrix, and (iv) entanglement spectrum. Our results show that these different properties are complementary to each other depending on the phase of the system, exhibiting peculiar behaviors such as discontinuities and maximum or minimum values at the quantum phase transitions, thus providing a qualitative view of the phase diagram of the model. In particular, in the superconducting region, we obtain that the entanglement spectrum signals a transition from a dominant singlet (SS) to triplet (TS) pairing ordering in the system. Moreover, from the analysis of the dominant eigenvector in the reduced state, we can relate the SS-TS transition to the spatial separation between the fermion pairs in the two different pairing orderings. The entanglement gap is also able to highlight a transition---at a few-body level---in the ground state wave function, not discussed previously in the literature. While other quantifiers are less sensitive to few-body defects in the wave function, the entanglement gap can work as a magnifying glass for these, capturing such small fluctuations.

DOI
10.1103/physrevb.105.115145

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We study the ground state properties of the one-dimensional extended Hubbard model at half filling from the perspective of its particle reduced density matrix. We focus on the reduced density matrix of two fermions and perform an analysis of its quantum correlations and coherence along the different phases of the model. Specifically, we study its (i) entanglement entropy, (ii) \ensuremathℓ1{\ensuremath{\ell}}_{1}\ensuremathℓ1​ norm of coherence, (iii) irreducible two-body cumulant matrix, and (iv) entanglement spectrum. Our results show that these different properties are complementary to each other depending on the phase of the system, exhibiting peculiar behaviors such as discontinuities and maximum or minimum values at the quantum phase transitions, thus providing a qualitative view of the phase diagram of the model. In particular, in the superconducting region, we obtain that the entanglement spectrum signals a transition from a dominant singlet (SS) to triplet (TS) pairing ordering in the system. Moreover, from the analysis of the dominant eigenvector in the reduced state, we can relate the SS-TS transition to the spatial separation between the fermion pairs in the two different pairing orderings. The entanglement gap is also able to highlight a transition---at a few-body level---in the ground state wave function, not discussed previously in the literature. While other quantifiers are less sensitive to few-body defects in the wave function, the entanglement gap can work as a magnifying glass for these, capturing such small fluctuations.
We investigate the quantum phase transitions of the extended Hubbard model at half-filling with periodic boundary conditions employing the entanglement of particles, as opposed to the more traditional entanglement of modes. Our results show that the entanglement has either discontinuities or local minima at the critical points. We associate the discontinuities to first-order transitions, and the minima to second-order ones. Thus we show that the entanglement of particles can be used to derive the phase diagram, except for the subtle transitions between the spin-density wave (SDW) and bond-order wave (BOW) phases and the triplet superconducting (TS) and singlet superconducting (SS) phases.
In this paper, we study block-block entanglement in the ground state of a one-dimensional extended Hubbard model. Our results show that the phase diagram derived from the block-block entanglement manifests a richer structure than that of the local (single-site) entanglement because it comprises nonlocal correlation. Besides phases characterized by the charge-density wave, the spin-density wave, and phase separation, which can be sketched out by the local entanglement, singlet superconductivity phase could be identified on the contour map of the block-block entanglement if the block size is larger than 1. Scaling analysis shows that log2(l){\mathrm{log}}_{2}(l)log2​(l) behavior of the block-block entanglement may exist in both the noncritical and critical regions, while some local extremum are induced by the finite-size effect. We also study the block-block entanglement defined in the momentum space and discuss its relation to the phase transition from singlet superconducting state to the charge-density-wave state.
We examine distinct measures of fermionic entanglement in the exact ground state of a finite superconducting system. It is first shown that global measures such as the one-body entanglement entropy, which represents the minimum relative entropy between the exact ground state and the set of fermionic Gaussian states, exhibit a close correlation with the BCS gap, saturating in the strong superconducting regime. The same behavior is displayed by the bipartite entanglement between the set of all single-particle states kkk of positive quasimomenta and their time-reversed partners k‾\overline{k}k. In contrast, the entanglement associated with the reduced density matrix of four single-particle modes $k,\overline{k}, {k}^{\ensuremath{'}},{\overline{k}}^{\ensuremath{'}}$, which can be measured through a properly defined fermionic concurrence, exhibits a different behavior, showing a peak in the vicinity of the superconducting transition for states $k,{k}^{\ensuremath{'}}$ close to the Fermi level and becoming small in the strong coupling regime. In the latter, such reduced state exhibits, instead, a finite mutual information and quantum discord. While the first measures can be correctly estimated with the BCS approximation, the previous four-level concurrence lies strictly beyond the latter, requiring at least a particle-number projected BCS treatment for its description. Formal properties of all previous entanglement measures are as well discussed.
We examine the phase diagram of the half-filled one-dimensional extended Hubbard model using quantum information entropies within the density-matrix renormalization group. It is well known that there is a charge-density-wave phase at large nearest-neighbor and a small on-site Coulomb repulsion and a spin-density wave at small nearest-neighbor and large on-site Coulomb repulsion. At intermediate Coulomb interaction strength, we find an additional narrow region of a bond-order phase between these two phases. The phase transition line for the transition out of the charge-density-wave phase changes from first order at strong coupling to second order in a parameter regime where all three phases are present. We present evidence that the additional phase-transition line between the spin-density-wave and bond-order phases is infinite order. While these results are in agreement with recent numerical work, our study provides an independent unbiased means of determining the phase boundaries by using quantum information analysis, yields values for the location of some of the phase boundaries that differ from those previously found, and provides insight into the limitations of numerical methods in determining phase boundaries, especially those of infinite-order transitions.
By using the density matrix renormalization group technique, the phase diagram of the half-filling extended Hubbard model is investigated. The conventional order parameter, the two-site entanglement entropy, and the block-block entanglement entropy are analyzed in detail. According to the numerical results, in the weak coupling region, an intermediate bond-order-wave (BOW) phase is shown to exist indeed between the charge-density-wave (CDW) and the spin-density-wave (SDW) phases. The critical phase transition points are determined by the singularity of the first order derivative of two-site entanglement entropy. In strong coupling region, a direct phase transition occurs from SDW phase to CDW phase, and shows discontinuous (first order) character accompanied with energy level crossing. The numerical results support the phase diagram proposed previously by some authors Sengupta et al., (2002); Sandvik et al., (2004); Zhang, (2004). Therefore, the quantum entanglement is a sensitive tool to describe quantum phase transitions in strongly correlated electron systems.
We study the entanglement properties of the one-dimensional dimerized Fermi-Hubbard model. Using a matrix-product-state approach, we compute the ground state and identify two insulating phases at 1/2- and 3/4-filling, along with a metallic phase, whose mechanisms can be characterized by their entanglement spectra. Our findings indicate that the two insulating phases are distinct, implying that the phase at 1/2-filling has a charge gap arising from the band gap, which is enhanced by repulsive interactions, while the phase at 3/4-filling exhibits a Mott gap resulting from particle interactions. This difference between the two insulating phases is reflected in the scaling properties of the half-chain entanglement entropy and the distribution of the entanglement spectrum.