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Physical Review A

Single-site entanglement as a marker for quantum phase transitions at nonzero temperatures

Willdauany C. de Freitas da Silva, Andressa R. Medeiros-Silva, Rubem Mondaini, Vivian V. França, Thereza Paiva

Published Nov 21, 2025• 0 citations
Publisher

Abstract

Entanglement has been widely investigated in condensed-matter systems since they are considered good candidates for developing quantum technologies. Additionally, entanglement is a powerful tool to explore quantum phase transitions in strongly correlated systems, with the von Neumann entropy being considered a proper measure of quantum entanglement for pure bipartite systems. For lattice systems, in particular, the single-site entanglement quantifies how much information about the quantum state of the remaining sites can be obtained by a measurement at a single site. Here, we use quantum Monte Carlo calculations to obtain the average single-site entanglement for the two-dimensional Hubbard model in different geometries, probing the effects of varying temperature and interaction strength. We find that the average single-site entanglement signals the quantum phase transitions in such systems, allowing us to identify and characterize signatures of quantum phase transitions even at finite temperatures. We also analyze the relation between entanglement and magnetic susceptibility: in all the geometries considered, we find regimes in which the quantities are roughly linearly connected, revealing their link to the Mott transition.

DOI
10.1103/l8nx-c6nd

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Entanglement has been widely investigated in condensed-matter systems since they are considered good candidates for developing quantum technologies. Additionally, entanglement is a powerful tool to explore quantum phase transitions in strongly correlated systems, with the von Neumann entropy being considered a proper measure of quantum entanglement for pure bipartite systems. For lattice systems, in particular, the single-site entanglement quantifies how much information about the quantum state of the remaining sites can be obtained by a measurement at a single site. Here, we use quantum Monte Carlo calculations to obtain the average single-site entanglement for the two-dimensional Hubbard model in different geometries, probing the effects of varying temperature and interaction strength. We find that the average single-site entanglement signals the quantum phase transitions in such systems, allowing us to identify and characterize signatures of quantum phase transitions even at finite temperatures. We also analyze the relation between entanglement and magnetic susceptibility: in all the geometries considered, we find regimes in which the quantities are roughly linearly connected, revealing their link to the Mott transition.
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At the interface of quantum information and condensed matter physics, the study of entanglement in quantum many-body systems requires a new toolset which combines concepts from each. This thesis introduces a set of computational methods to study phases and phase transitions in lattice models of quantum systems, using the Renyi entropies as a means of quantifying entanglement. The scaling of entanglement entropy can give valuable insight into the phase of a condensed matter system. It can be used to detect exotic types of phases, to pinpoint transitions between phases, and can give us universal information about a system. \nThe first approach in this thesis is a technique to measure entanglement in finite size \nlattice systems using zero-temperature quantum Monte Carlo simulations. The algorithm \nis developed, implemented, and used to explore anomalous entanglement scaling terms in \nthe spin-1/2 Heisenberg antiferromagnet. \nIn the second part of this thesis, a new and complementary numerical technique is introduced to study entanglement not just in finite size systems, but as we approach the thermodynamic limit. This “numerical linked-cluster expansion” is used to study two different systems at their quantum critical points — continuous phase transitions occurring at zero temperature, at which these systems exhibit universal properties. Remarkably, these universal properties can be reflected in the scaling of entanglement. \nEntanglement offers a new perspective on condensed matter systems, one which takes us closer to genuinely understanding what goes on in these materials at the quantum mechanical level. This thesis demonstrates the first steps in developing an extensive list of computational tools that can be used to study entanglement over a wide range of interacting quantum many-body systems. With the ever increasing computational power available, it may be only a matter of time before these tools are used to create a comprehensive framework for the characterization of condensed matter phases and phase transitions.
"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."
The role of two-point and multipartite entanglement at quantum phase transitions (QPTs) in correlated electron systems is investigated. We consider a bond-charge extended Hubbard model exactly solvable in one dimension which displays various QPTs---with two (qubit) as well as more (qudit) on-site degrees of freedom involved. The analysis is carried out by means of appropriate measures of bipartite/multipartite quantum correlations. It is found that all transitions ascribed to two-point correlations are characterized by an entanglement range which diverges at the transition points. The exponent coincides with that of the correlation length at the transitions. We introduce the correlation ratio, namely, the ratio of quantum mutual information and single-site entanglement. We show that at T=0T=0T=0, it captures the relative role of two-point and multipartite quantum correlations at transition points, generalizing to qudit systems the entanglement ratio. Moreover, a finite value of quantum mutual information between infinitely distant sites is seen to quantify the presence of off-diagonal long-range order induced by multipartite entanglement.