In this work, we establish a general theory of phase transitions and quantum entanglement in the equilibrium state at arbitrary temperatures. First, we derive a set of universal functional relations between the matrix elements of a two-body reduced density matrix of the canonical density matrix and the Helmholtz free energy of the equilibrium state, which implies that the Helmholtz free energy and its derivatives are directly related to entanglement measures because any entanglement measures are defined as a function of the reduced density matrix. Then we show that the first-order phase transitions are signaled by the matrix elements of the reduced density matrix while the second-order phase transitions are witnessed by the first derivatives of the reduced density matrix elements. Near the second-order phase-transition point, we show that the first derivative of the reduced-density-matrix elements present universal scaling behaviors. Finally, we establish a theorem which connects the phase transitions and bipartite entanglement at arbitrary temperatures. Our general results are demonstrated in an experimentally relevant many-body spin model.
In this work, we establish a general theory of phase transitions and quantum entanglement in the equilibrium state at arbitrary temperatures. First, we derive a set of universal functional relations between the matrix elements of a two-body reduced density matrix of the canonical density matrix and the Helmholtz free energy of the equilibrium state, which implies that the Helmholtz free energy and its derivatives are directly related to entanglement measures because any entanglement measures are defined as a function of the reduced density matrix. Then we show that the first-order phase transitions are signaled by the matrix elements of the reduced density matrix while the second-order phase transitions are witnessed by the first derivatives of the reduced density matrix elements. Near the second-order phase-transition point, we show that the first derivative of the reduced-density-matrix elements present universal scaling behaviors. Finally, we establish a theorem which connects the phase transitions and bipartite entanglement at arbitrary temperatures. Our general results are demonstrated in an experimentally relevant many-body spin model.
We develop a general theory of the relation between quantum phase transitions (QPTs) characterized by nonanalyticities in the energy and bipartite entanglement. We derive a functional relation between the matrix elements of two-particle reduced density matrices and the eigenvalues of general two-body Hamiltonians of d-level systems. The ground state energy eigenvalue and its derivatives, whose nonanalyticity characterizes a QPT, are directly tied to bipartite entanglement measures. We show that first-order QPTs are signaled by density matrix elements themselves and second-order QPTs by the first derivative of density matrix elements. Our general conclusions are illustrated via several quantum spin models.
Density functional theory (DFT) has met great success in solid state physics, quantum chemistry and in computational material sciences. In this work we show that DFT could shed light on phase transitions and entanglement at finite temperatures. Specifically, we show that the equilibrium state of an interacting quantum many-body system which is in thermal equilibrium with a heat bath at a fixed temperature is a universal functional of the first derivatives of the free energy with respect to temperature and other control parameters respectively. This insight from DFT enables us to express the average value of any physical observable and any entanglement measure as a universal functional of the first derivatives of the free energy with respect to temperature and other control parameters. Since phase transitions are marked by the nonanalytic behavior of free energy with respect to control parameters, the physical quantities and entanglement measures may present nonanalytic behavior at critical point inherited from their dependence on the first derivative of free energy. We use two solvable models to demonstrate these ideas. These results give new insights for phase transitions and provide new profound connections between entanglement and phase transitions in interacting quantum many-body physics.
Quantum phase transitions occur in non-Hermitian systems. In this work we show that density functional theory, for the first time, uncovers universal critical behaviors for quantum phase transitions and quantum entanglement in non-Hermitian many-body systems. To be specific, we first prove that the non-degenerate steady state of a non-Hermitian quantum many body system is a universal function of the first derivative of the steady state energy with respect to the control parameter. This finding has far-reaching consequences for non-Hermitian systems. First, it bridges the non-analytic behavior of physical observable and no-analytic behavior of steady state energy, which explains why the quantum phase transitions in non-Hermitian systems occur for finite systems. Second, it predicts universal scaling behaviors of any physical observable at non-Hermitian phase transition point with scaling exponent being (1 - 1/p) with p being the number of coalesced states at the exceptional point. Third, it reveals that quantum entanglement in non-Hermitian phase transition point presents universal scaling behaviors with critical exponents being (1 - 1/p). These results uncover universal critical behaviors in non-Hermitian phase transitions and provide profound connections between entanglement and phase transition in non-Hermitian quantum many-body physics.
Density-functional theory (DFT) is shown to provide a conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum phase transitions and entanglement. We use DFT concepts to express entanglement measures in terms of the first or second derivative of the ground-state energy. We illustrate the versatility of the DFT approach via a variety of analytically solvable models. As a further application we discuss entanglement and quantum phase transitions in the case of mean-field approximations for realistic models of many-body systems.
The following thesis focuses on the scaling of entanglement entropy in lower dimensions and is divided into three main parts. Chapter 2 studies the thermal reduced density matrices in fermion and spin systems on ladders. Chapter 3 studies the many-body localization phase transition in a Rokhsar-Kivelson type wave function. Chapter 4 studies the subleading correction term of entanglement entropy in 2+1 dimensional scale invariant systems. Chapter 5 studies the bulk-boundary correspondence in 3 + 1 dimensional topological phases and its entanglement entropy. In chapter 2, we investigate the reduced density matrices for a model of free fermions on a two-leg ladder (gapped by the inter-chain tunneling operator) and in 1/2 spin systems on a ladder with a gapped ground state using exact solutions and several controlled approximations. We calculate the reduced density matrix and the entanglement entropy for a leg of the ladder (i.e. cut made between the chains). In the fermionic system we find the exact form of the reduced density matrix for one of the chains and determine the entanglement spectrum explicitly. Here we find that in the weak tunneling limit of the ladder the entanglement entropy of one chain of the gapped ladder has a simple and universal form dictated by conformal invariance. In the case of the spin system, we consider the strong coupling limit by using perturbation theory and get the reduced density matrix by the Schmidt decomposition. The entanglement entropies of a general gapped system of two coupled conformal field theories (in 1+1 dimensions) is discussed using the replica trick and scaling arguments. We show that 1) for a system with a bulk gap, the reduced density matrix has the form of a thermal density matrix, 2) the long-wavelength modes of one subsystem (a chain) of a gapped coupled system are always thermal, 3) the von Neumann entropy equals to the thermodynamic entropy of one chain, and 4) the bulk gap plays the role of effective temperature. In chapter 3, we construct a family of many-body wave functions to study the many-body localization phase transition. The wave functions have a Rokhsar-Kivelson form, in which the weight for the configurations are chosen from the Gibbs weights of a classical spin glass model, known as the Random Energy Model, multiplied by a random sign structure to represent a highly excited state. These wave functions show a phase transition into an MBL phase. In addition, we see three regimes of entanglement scaling with subsystem size: scaling with entanglement corresponding to an infinite temperature thermal phase, constant scaling, and a sub-extensive scaling between these limits. Near the phase transition point, the fluctuations of the Renyi entropies are non-Gaussian. We find that Renyi entropies with different Renyi index transition into the MBL phase at different points and have different scaling behavior, suggesting a multifractal behavior. In chapter 4, we study the universal scaling behavior of the entanglement entropy of critical theories in 2+1 dimensions. We specially consider two fermionic scale-invariant models, free massless Dirac fermions and a model of fermions with quadratic band touching, and numerically study the two-cylinder entanglement entropy of the models on the torus. We find that in both cases the entanglement entropy satisfies the area law and has the subleading term which is a scaling function of the aspect ratios of the cylindrical regions. We test the scaling of entanglement in both the free fermion models using three possible scaling functions for the subleading term derived from a) the quasi-one-dimensional conformal field theory, b) the bosonic quantum Lifshitz model, and c) the holographic AdS/CFT correspondence. For the later case we construct an analytic scaling function using holography, appropriate for critical theories with a gravitational dual description. We find that the subleading term in the fermionic models is well described, for a range of aspect ratios, by the scaling form derived from the quantum Lifshitz model as well as that derived using the AdS/CFT correspondence (in this case only for the Dirac model). For the case where the fermionic models are placed on a square torus we find the fit to the different scaling forms is in agreement to surprisingly high precision. In chapter 5, we discuss (2+1)-dimensional gapless surface theories of bulk (3+1)-dimensional topological phases, such as the BF theory at level K, and its generalization. In particular, we put these theories on a flat (2+1) dimensional torus T3 parameterized by its modular parameters, and compute the partition functions obeying various twisted boundary conditions. We show the partition functions are transformed into each other under SL(3, Z) modular transformations, and furthermore establish the bulk-boundary correspondence in (3+1) dimensions by matching the modular S and T matrices computed from the boundary field theories with those computed in the bulk. We propose the three-loop braiding statistics can be studied by constructing the modular S and T matrices from an appropriate boundary field theory. We also study the EE for 3 + 1- dimensional topological phase with or without three-loop braiding phase.
We study the distribution of the Schmidt coefficients of the reduced density matrix of a quantum system in a pure state. By applying general methods of statistical mechanics, we introduce a fictitious temperature and a partition function and translate the problem in terms of the distribution of the eigenvalues of random matrices. We investigate the appearance of two phase transitions, one at a positive temperature, associated with very entangled states, and one at a negative temperature, signaling the appearance of a significant factorization in the many-body wave function. We also focus on the presence of metastable states (related to two-dimensional quantum gravity) and study the finite size corrections to the saddle point solution.