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arXiv:0704.1597 · Physical Review B

Numerical estimation of critical parameters using the bond entropy

Rafael A. Molina, Peter Schmitteckert

Published Jun 6, 2007• 10 citations
arXivHTMLPDF

Abstract

Using a model of spinless fermions in a lattice with nearest-neighbor and next-nearest-neighbor interactions, we show that the entropy of the reduced two-site density matrix (the bond entropy) can be used as an extremely accurate and easy to calculate numerical indicator for the critical parameters of the quantum phase transition when the basic ordering pattern has a two-site periodicity. The actual behavior of the bond entropy depends on the particular characteristics of the transition under study. For the Kosterlitz-Thouless-type phase transition from a Luttinger liquid phase to a charge-density wave state, the bond entropy has a local maximum, while in the transition from the Luttinger liquid to the phase separated state, the derivative of the bond entropy has a divergence due to the cancellation of the third eigenvalue of the two-site reduced density matrix.

DOI
10.1103/physrevb.75.235104

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Using a model of spinless fermions in a lattice with nearest-neighbor and next-nearest-neighbor interactions, we show that the entropy of the reduced two-site density matrix (the bond entropy) can be used as an extremely accurate and easy to calculate numerical indicator for the critical parameters of the quantum phase transition when the basic ordering pattern has a two-site periodicity. The actual behavior of the bond entropy depends on the particular characteristics of the transition under study. For the Kosterlitz-Thouless-type phase transition from a Luttinger liquid phase to a charge-density wave state, the bond entropy has a local maximum, while in the transition from the Luttinger liquid to the phase separated state, the derivative of the bond entropy has a divergence due to the cancellation of the third eigenvalue of the two-site reduced density matrix.
The von Neumann entanglement entropy is studied with the density-matrix renormalization-group technique. We propose a simple approach to calculate the central charge using the entanglement entropy for a one-dimensional (1D) quantum system. This approach is applied to a couple of quantum systems: (i) a 1D frustrated spin model and (ii) a 1D half-filled spinless fermions with nearest-neighbor repulsion; it is confirmed that the central charge is estimated very accurately for the both systems. Also, a new method to determine the critical point between Tomonaga-Luttinger-liquid and gapped (or ordered) phases from the proposed approach is suggested. Furthermore, we mention that the Tomonaga-Luttinger parameter can be obtained in a like manner as the central charge, using the charge-density fluctuation of a part of the 1D system.
We study a quantum phase transition that occurs in a system composed of two impurities (or quantum dots), each coupled to a different interacting (Luttinger liquid) lead. While the impurities are coupled electrostatically, there is no tunneling between them. Using a mapping of this system onto a Kondo model, we show analytically that the system undergoes a Berezinskii-Kosterlitz-Thouless quantum phase transition as a function of the Luttinger liquid parameter in the leads and the dot-lead interaction. The phase with low values of the Luttinger liquid parameter is characterized by an abrupt switch of the population between the impurities as a function of a common applied gate voltage. However, this behavior is hard to verify numerically since one would have to study extremely long systems. Interestingly, though, at the transition the entanglement entropy drops from a finite value of ln(2)\mathrm{ln}(2)ln(2) to zero. The drop becomes sharp for infinite systems. One can employ finite-size scaling to extrapolate the transition point and the behavior in its vicinity from the behavior of the entanglement entropy in moderate size samples. We employ the density matrix renormalization-group numerical procedure to calculate the entanglement entropy of systems with lead lengths of up to 480 sites. Using finite-size scaling, we extract the transition value and show it to be in good agreement with the analytical prediction.
Spinless fermions in one dimension with nearest-neighbor transfer amplitude $\ensuremath{-}t$ and interaction VVV display a Kosterlitz-Thouless-type quantum phase transition from a Luttinger liquid metal to a charge density wave insulator at finite interaction strength Vc=2t{V}_{\mathrm{c}}=2tVc​=2t. The authors use the density matrix renormalization group (DMRG) method on rings with $L\ensuremath{\le}512$ sites for an accurate localization of the transition. The maximum of the quasiparticle density in the upper Hartree-Fock band, ${n}_{\ensuremath{\beta}}^{\mathrm{max}}(L,V)={\mathrm{max}}_{k}\phantom{\rule{0.167em}{0ex}}{n}_{k,\ensuremath{\beta}}(L,V)$, develops a peak close to the critical interaction whose position extrapolates to the exact result in the thermodynamic limit, ${lim}_{L\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}{V}_{\ensuremath{\beta}}^{\mathrm{max}}(L,V)={V}_{\mathrm{c}}$, with an accuracy of better than one percent. Monitoring the Luttinger parameter permits to locate the transition with an accuracy of three percent.
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.
We propose a new approach to study quantum phase transitions in low-dimensional lattice models. It is based on studying the von Neumann entropy of two neighboring central sites in a long chain. It is demonstrated that the procedure works equally well for fermionic and spin models, and the two-site entropy is a better indicator of quantum phase transition than calculating gaps, order parameters, or the single-site entropy. The method is especially convenient when the density-matrix renormalization-group algorithm is used.
The characterization of the quantum phase transition in a lowdimensional system has attracted a considerable amount of attention in quantum manybody systems. As one of the fundamental models in quantum magnetism, spin-1 models have richer phase diagrams and show more complex physical phenomena. In the spin-1 antiferromagnetic XXZ model, the Haldane phase and the Nel phase are the gapped topologic phases which cannot be characterized by the local order parameters. To characterize the nature in such phases, one has to calculate the non-local long range order parameters. Normally, the non-local order parameter in the topological phase is obtained from the extrapolation of finite-sized system in numerical study. However, it is difficult to extract the critical exponents with such an extrapolated non-local order parameter due to the numerical accuracy. In a recently developed tensor network representation, i.e., the infinite matrix product state (iMPS) algorithm, it was shown that the non-local order can be directly calculated from a very large lattice distance in an infinite-sized system rather than an extrapolated order parameter in a finite-sized system. Therefore, it is worthwhile using this convenient technique to study the non-local orders in the topological phases and characterize the quantum criticalities in the topological quantum phase transitions. In this paper, by utilizing the infinite matrix product state algorithm based on the tensor network representation and infinite time evolving block decimation method, the quantum entanglement, fidelity, and critical exponents of the topological phase transition are investigated in the one-dimensional infinite spin-1 bond-alternating XXZ Heisenberg model. It is found that there is always a local dimerization order existing in the whole parameter range when the bond-alternative strength parameter changes from 0 to 1. Also, due to the effect of the bond-alternating, there appears a quantum phase transition from the long-rang ordering topological Nel phase to the local ordering dimerization phase. The von Neumann entropy, fidelity per lattice site, and order parameters all give the same phase transition point at c = 0.638. To identify the type of quantum phase transition, the central charge c 0.5 is extracted from the ground state von Neumann entropy and the finite correlation length, which indicates that the phase transition belongs to the two-dimensional Ising universality class. Furthermore, it is found that the Nel order and the susceptibility of Nel order have power-law relations to |-c|. From the numerical fitting of the Nel order and its susceptibility, we obtain the characteristic critical exponents ' = 0.236 and ' = 0.838. It indicates that such critical exponents from our method characterize the nature of the quantum phase transition. Our critical exponents from the iMPS method can provide guidance for studying the properties of the phase transition in quantum spin systems.