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With an auxiliary weak external magnetic field, we reexamine the fundamental thermodynamic function, Gibbs free energy $G(T,h)$, to study phase transitions in classical spin lattice models. A cross derivative, i.e., the second-order partial derivative of $G(T,h)$ with respect to both temperature and field, is calculated to precisely locate the critical temperature, which also reveals the nature of a transition. The strategy is efficient and universal, as exemplified by the five-state clock model, two-dimensional (2D) and 3D Ising models, and the $XY$ model, no matter if a transition is trivial or exotic with complex excitations. More importantly, other conjugate pairs could also be integrated into a similar cross derivative if necessary, which would greatly enrich our vision and means to investigate phase transitions both theoretically and experimentally.

We perform the state-of-the-art tensor network simulations directly in the thermodynamic limit to clarify the critical properties of the $q$-state clock model on the square lattice. We determine accurately the two phase transition temperatures through the singularity of the classical analog of the entanglement entropy, and provide extensive numerical evidences to show that both transitions are of the Berezinskii-Kosterlitz-Thouless (BKT) type for $q\ge 5$ and that the low-energy physics of this model is well described by the $\mathbb{Z}_q$-deformed sine-Gordon theory. We also determine the characteristic conformal parameters, especially the compactification radius, that govern the critical properties of the intermediate BKT phase., 5 pages, 5 figures plus supplemental material; accepted for publication in Phys. Rev. E (Rapid Com.), minor typo corrections

Tensor renormalization group (TRG) constitutes an important methodology for accurate simulations of strongly correlated lattice models. Facilitated by the automatic differentiation technique widely used in deep learning, we propose a uniform framework of differentiable TRG ($\partial$TRG) that can be applied to improve various TRG methods, in an automatic fashion. Essentially, $\partial$TRG systematically extends the concept of second renormalization [PRL 103, 160601 (2009)] where the tensor environment is computed recursively in the backward iteration, in the sense that given the forward process of TRG, $\partial$TRG automatically finds the gradient through backpropagation, with which one can deeply "train" the tensor networks. We benchmark $\partial$TRG in solving the square-lattice Ising model, and demonstrate its power by simulating one- and two-dimensional quantum systems at finite temperature. The deep optimization as well as GPU acceleration renders $\partial$TRG manybody simulations with high efficiency and accuracy., 13 pages, 9 figures

The design and exploration of ferromagnetic two-dimensional materials is an important research topic due to their potential applications in spintronic devices. By the first-principles calculations, we examine the structural stability and the electronic properties of transition metal carbonitrides MN4C2 (M = 3d transition metals) and find out that chromium carbonitride CrN4C2 is a ferromagnetic two-dimensional material. CrN4C2 is made up of CrN4 unit and C2 dimer, stacked alternatively to form a planar single-atom-thick sheet. For the Cr 3d electronic states, there is a complete spin splitting between Cr 3d spin-up and spin-down states, leading to a large moment up to 3.76 μB around Cr atoms. The magnetic interaction among Cr atoms can be described by Ising model, and the ferromagnetic couplings are energetically favorable, which indicates that there must be a ferromagnetic phase transition and a ferromagnetic ground state. The Curie temperature of CrN4C2 is evaluated to be 226.6 K in terms of the tensor renormalization group method. With Hubbard U of 3 eV and 5 eV being considered, the Curie temperatures reach up to 331.1 and 283.6 K. Consequently, our results demonstrate that CrN4C2 is a graphene-like two-dimensional material with robust ferromagnetism.

The dynamic recrystallization (DRX) process of hot compressed aluminium alloy 7050 was predicted using cellular automaton (CA) combined with topology deformation. The hot deformatation characteristics of aluminium alloy 7050 were investigated by hot uniaxial compression tests in order to obtain the material parameters used in the CA model. The influences of process parameters (strain, strain rate and temperature) on the fraction of DRX and the average recrystallization grain (R-grain) size were investigated and discussed. It is found that larger stain, higher temperature and lower strain rate (less than 0.1 s–1) are beneficial to the increasing fraction of DRX. And the deformation temperature affects the mean R-grain size much more greatly than other parameters. It is also noted that there is a critical strain for the occurrence of DRX which is related to strain rate and temperature. In addition, it is shown that the CA model with topology deformation is able to simulate the microstructural evolution and the flow behavior of aluminium alloy 7050 material under various deformation conditions.

The Chebyshev expansion offers a numerically efficient and easy-implement algorithm for evaluating dynamic correlation functions using matrix product states (MPS). In this approach, each recursively generated Chebyshev vector is approximately represented by an MPS. However, the recurrence relations of Chebyshev polynomials are broken by the approximation, leading to an error which is accumulated with the increase of the order of expansion. Here we propose a reorthonormalization approach to remove this error introduced in the loss of orthogonality of the Chebyshev polynomials. Our approach, as illustrated by comparison with the exact results for the one-dimensional XY and Heisenberg models, improves significantly the accuracy in the calculation of dynamical correlation functions., 9 pages, 8 figures

Using the tensor renormalization group method based on the higher-order singular value decomposition,we have studied the phase transitions of the five-state clock model on the square lattice.The temperature dependence of the specific heat indicates the system has two phase transitions, as verified clearly in the correlation function. By investigating the magnetic susceptibility, we can only obtain the upper critical temperature as Tc2 = 0.9565(7). From the fixed-point tensor, we locate the transition temperatures at Tc1 = 0.9029(1) and Tc2 = 0.9520(1), consistent with the MC and the DMRG results., Comment: 5 pages, 7 figures

In the tensor-network framework, the expectation values of two-dimensional quantum states are evaluated by contracting a double-layer tensor network constructed from initial and final tensor-network states. The computational cost of carrying out this contraction is generally very high, which limits the largest bond dimension of tensor-network states that can be accurately studied to a relatively small value. We propose an optimized contraction scheme to solve this problem by mapping the double-layer tensor network onto an intersected single-layer tensor network. This reduces greatly the bond dimensions of local tensors to be contracted and improves dramatically the efficiency and accuracy of the evaluation of expectation values of tensor-network states. It almost doubles the largest bond dimension of tensor-network states whose physical properties can be efficiently and reliably calculated, and it extends significantly the application scope of tensor-network methods., 7 pages, 6 figures, accepted version for Phys. Rev. B. The title is changed for easier understanding

We investigate the critical behavior and the duality property of the ferromagnetic $q$-state clock model on the square lattice based on the tensor-network formalism. From the entanglement spectra of local tensors defined in the original and dual lattices, we obtain the exact self-dual points for the model with $q \leq 5 $ and approximate self-dual points for $q \geq 6$. We calculate accurately the lower and upper critical temperatures for the six-state clock model from the fixed-point tensors determined using the higher-order tensor renormalization group method and compare with other numerical results., Comment: 5 pages, 4 figures

Frustrated quantum magnetism has moved to the forefront of physics research, posing fundamental questions concerning quantum disordered states, entanglement, topology and the nature of the quantum wavefunction. The defining problem in the field is one of the simplest, the ground state of the nearest-neighbour $S = 1/2$ antiferromagnetic Heisenberg model on the kagome lattice, but has defied all theoretical and numerical methods employed to date. We apply the formalism of tensor-network states (TNS), specifically the method of projected entangled simplex states (PESS), whose combination of a correct accounting for multipartite entanglement and infinite system size provides qualitatively new insight. By studying the ground-state energy, the staggered magnetization we find at all finite tensor bond dimensions and the effects of a second-neighbour coupling, we demonstrate that the ground state is a gapless spin liquid. We discuss the comparison with other numerical studies and the physical interpretation of the gapless ground state., Comment: 8 pages, 4 figures, revised version accepted for publication in PRL

We propose a generalized Lanczos method to generate the many-body basis states of quantum lattice models using tensor-network states (TNS). The ground-state wave function is represented as a linear superposition composed from a set of TNS generated by Lanczos iteration. This method improves significantly both the accuracy and the efficiency of the tensor-network algorithm and allows the ground state to be determined accurately using TNS with very small virtual bond dimensions. This state contains significantly more entanglement than each individual TNS, reproducing correctly the logarithmic size dependence of the entanglement entropy in a critical system. The method can be generalized to non-Hamiltonian systems and to the calculation of low-lying excited states, dynamical correlation functions, and other physical properties of strongly correlated systems., 5 pages, 5 figures

We compare two calculations of the particle density in the superfluid phase of the O(2) model with a chemical potential μ in 1+1 dimensions. The first relies on exact blocking formulas from the Tensor Renormalization Group (TRG) formulation of the transfer matrix. The second is a worm algorithm. We show that the particle number distributions obtained with the two methods agree well. We use the TRG method to calculate the thermal entropy and the entanglement entropy. We describe the particle density, the two entropies and the topology of the world lines as we increase μ to go across the superfluid phase between the first two Mott insulating phases. For a sufficiently large temporal size, this process reveals an interesting fine structure: the average particle number and the winding number of most of the world lines in the Euclidean time direction increase by one unit at a time. At each step, the thermal entropy develops a peak and the entanglement entropy increases until we reach half-filling and then decreases in a way that approximately mirrors the ascent. This suggests an approximate fermionic picture.

We perform a systematic study of the antiferromagnetic Heisenberg model on the Husimi lattice using numerical tensor-network methods based on Projected Entangled Simplex States (PESS). The nature of the ground state varies strongly with the spin quantum number, $S$. For $S = 1/2$, it is an algebraic (gapless) quantum spin liquid. For $S = 1$, it is a gapped, non-magnetic state with spontaneous breaking of triangle symmetry (a trimerized simplex-solid state). For $S = 2$, it is a simplex-solid state with a spin gap and no symmetry-breaking; both integer-spin simplex-solid states are characterized by specific degeneracies in the entanglement spectrum. For $S = 3/2$, and indeed for all spin values $S \ge 5/2$, the ground states have $120$-degree antiferromagnetic order. In a finite magnetic field, we find that, irrespective of the value of $S$, there is always a plateau in the magnetization at $m = 1/3$., 18 pages, 25 figures;minor changes, refs updated

We develop coarse-graining tensor renormalization group algorithms to compute physical properties of two-dimensional lattice models on finite periodic lattices. Two different coarse-graining strategies, one based on the tensor renormalization group and the other based on the higher-order tensor renormalization group, are introduced. In order to optimize the tensor-network model globally, a sweeping scheme is proposed to account for the renormalization effect from the environment tensors under the framework of second renormalization group. We demonstrate the algorithms by the classical Ising model on the square lattice and the Kitaev model on the honeycomb lattice, and show that the finite-size algorithms achieve substantially more accurate results than the corresponding infinite-size ones., 14 pages, 14 figures

We discuss the Tensor Renormalization Group (TRG) method for the O(2) model with a chemical potential in 1+1 dimensions with emphasis on near gapless/conformal situations. We emphasize the role played by the late Leo Kadanoff in the development of this theoretical framework. We describe the entanglement entropy in the superfluid phase (see arXiv:1507.01471 for details). We present recent progress on optimized truncation methods., Comment: Submitted as PoS(LATTICE 2015)285. Talk given by Yannick Meurice at the The 33rd International Symposium on Lattice Field Theory, 14 -18 July 2015, Kobe, Japan. Latex with 7 pages and 9 figures

Using the example of the two-dimensional (2D) Ising model, we show that in contrast to what can be done in configuration space, the tensor renormalization group (TRG) formulation allows one to write exact, compact, and manifestly local blocking formulas and exact coarse grained expressions for the partition function. We argue that similar results should hold for most models studied by lattice gauge theorists. We provide exact blocking formulas for several 2D spin models (the O(2) and O(3) sigma models and the SU(2) principal chiral model) and for the 3D gauge theories with groups Z_2, U(1) and SU(2). We briefly discuss generalizations to other groups, higher dimensions and practical implementations., Comment: 12 pages, 10 figures

We introduce a slave-fermion formulation in which to study the charge dynamics of the half-filled Hubbard model on the square lattice. In this description, the charge degrees of freedom are represented by fermionic holons and doublons and the Mott-insulating characteristics of the ground state are the consequence of holon–doublon bound-state formation. The bosonic spin degrees of freedom are described by the antiferromagnetic Heisenberg model, yielding long-ranged (Neel) magnetic order at zero temperature. Within this framework and in the self-consistent Born approximation, we perform systematic calculations of the average double occupancy, the electronic density of states, the spectral function and the optical conductivity. Qualitatively, our method reproduces the lower and upper Hubbard bands, the spectral-weight transfer into a coherent quasiparticle band at their lower edges and the renormalisation of the Mott gap, which is associated with holon–doublon binding, due to the interactions of both quasiparticle species with the magnons. The zeros of the Green function at the chemical potential give the Luttinger volume, the poles of the self-energy reflect the underlying quasiparticle dispersion with a spin-renormalised hopping parameter and the optical gap is directly related to the Mott gap. Quantitatively, the square-lattice Hubbard model is one of the best-characterised problems in correlated condensed matter and many numerical calculations, all with different strengths and weaknesses, exist with which to benchmark our approach. From the semi-quantitative accuracy of our results for all but the weakest interaction strengths, we conclude that a self-consistent treatment of the spin-fluctuation effects on the charge degrees of freedom captures all the essential physics of the antiferromagnetic Mott–Hubbard insulator. We remark in addition that an analytical approximation with these properties serves a vital function in developing a full understanding of the fundamental physics of the Mott state, both in the antiferromagnetic insulator and at finite temperatures and dopings.

We propose a modified spin-wave theory to study the 1/3 magnetization plateau of the antiferromagnetic Heisenberg model on the kagome lattice. By the self-consistent inclusion of quantum corrections, the 1/3 plateau is stabilized over a broad range of magnetic fields for all spin quantum numbers, S. The values of the critical magnetic fields and the widths of the magnetization plateaus are fully consistent with recent numerical results from exact diagonalization and infinite projected entangled paired states., Comment: 5 pages, 4 figures, accepted in Chinese Physics Letters