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arXiv:cond-mat/0511081 · Physical Review Letters

Two-Site Entropy and Quantum Phase Transitions in Low-Dimensional Models

Örs Legeza, Jenő Sólyom

Published Mar 21, 2006• 162 citations
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Abstract

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.

DOI
10.1103/physrevlett.96.116401

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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.
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.
"We studied the one-dimensional Bose-Hubbard model, by means of the Density Matrix Renormalization Group (DMRG). The U parameter, which contains the Coulombian repulsion information, is fixed to U = 1 and it is performed a swept over the hopping parameter t. The entanglement is investigated by implementing the one-site, two-site and block von Neumann entropy looking for which of these measures give account of the quantum phase transition from Mott insulator to superfluid. The one-site and two-site entropy do not give information of the phase transition of the system. In contrast, the block entropy shows, in the Mott insulator phase a behavior that saturates rapidly to a finite value and in the superfluid phase shows a logarithmic behavior that agrees with the mean field theory. From the derivative of the block entropy average as a function of t we found the phase transition takes place at tc =0.15."
We propose a new approach to study quantum phase transitions in low-dimensional fermionic or spin models that go from uniform to spatially inhomogeneous phases such as dimerized, trimerized, or incommensurate phases. It is based on studying the length dependence of the von Neumann entropy and its corresponding Fourier spectrum for finite segments in the ground state of finite chains. Peaks at a nonzero wave vector are indicators of oscillatory behavior in decaying correlation functions and also provide significant information about certain relevant features of the excitation spectrum; in particular, they can identify the wave vector of soft modes in critical models.
We study the Kitaev--Heisenberg model on a triangular lattice by using the two-dimensional density-matrix renormalization group method. Calculating the ground-state energy and spin structure factors, we obtain a ground-state phase diagram of the Kitaev--Heisenberg model. As suggested by previous studies, we find a 120∘^\circ∘ antiferromagnetic (AFM) phase, a Z2\mathbb{Z}_2Z2​-vortex crystal phase, a nematic phase, a dual Z2\mathbb{Z}_2Z2​-vortex crystal phase (the dual counterpart of the Z2\mathbb{Z}_2Z2​-vortex crystal phase), a Z6\mathbb{Z}_6Z6​ ferromagnetic phase, and a dual ferromagnetic phase (the dual counterpart of the $\mathbb{Z}_6 $ ferromagnetic phase). Spin correlations discontinuously change at phase boundaries because of first-order phase transitions. We also study the relation among the von Neumann entanglement entropy, entanglement spectrum, and phase transitions of the model. We find that the Schmidt gap closes at phase boundaries and thus the entanglement entropy clearly changes as well. This is different from the Kitaev--Heisenberg model on a honeycomb lattice, where the Schmidt gap and entanglement entropy are not necessarily a good measure of phase transitions.
A variant of White's density-matrix renormalization-group scheme, which is designed to compute low-lying energies of one-dimensional quantum lattice models with a large number of degrees of freedom per site is described. The method is tested on two exactly solvable models---the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg chain and a dimerized XY\mathrm{XY}XY spin chain. To illustrate the potential of the method, it is applied to a model of spins interacting with quantum phonons. It is shown that the method accurately resolves a number of energy gaps on periodic rings that are sufficiently large to afford an accurate investigation of critical properties via the use of finite-size scaling theory.