Frustration is a ubiquitous phenomenon in many-body physics that influences the nature of the system in a profound way with exotic emergent behavior. Despite its long research history, the analytical or numerical investigations on frustrated spin models remain a formidable challenge due to their extensive ground-state degeneracy. In this paper, we propose a unified tensor network theory to numerically solve the frustrated classical spin models on various two-dimensional (2D) lattice geometry with high efficiency. We show that the appropriate encoding of emergent degrees of freedom in each local tensor is of crucial importance in the construction of the infinite tensor network representation of the partition function. The frustrations are thus relieved through the effective interactions between emergent local degrees of freedom. Then the partition function is written as a product of a one-dimensional (1D) transfer operator, whose eigenequation can be solved by the standard algorithm of matrix product states rigorously, and various phase transitions can be accurately determined from the singularities of the entanglement entropy of the 1D quantum correspondence. We demonstrated the power of our general theory by numerically solving 2D fully frustrated XY spin models on the kagome, square, and triangular lattices, giving rise to a variety of thermal phase transitions from infinite-order Brezinskii-Kosterlitz-Thouless transitions, second-order transitions, to first-order phase transitions. Our approach holds the potential application to other types of frustrated classical systems like Heisenberg spin antiferromagnets.
A general framework is proposed to solve the two-dimensional (2D) fully frustrated XY model for the Josephson junction arrays in a perpendicular magnetic field. The essential idea is to encode the ground-state local rules induced by frustrations in the local tensors of the partition function. The partition function is then expressed in terms of a product of a 1D transfer matrix operator, whose eigenequation can be solved by an algorithm of matrix product states rigorously. The singularity of the entanglement entropy for the 1D quantum analog provides a stringent criterion to distinguish various phase transitions without identifying a priori order parameter. Two very close phase transitions are determined at ${T}_{c1}\ensuremath{\approx}0.4459$ and ${T}_{c2}\ensuremath{\approx}0.4532$, respectively. The former corresponds to a Berezinskii-Kosterlitz-Thouless phase transition describing the phase coherence of XY spins, and the latter is an Ising-like continuous phase transition below which a chirality order with spontaneously broken
Z2 symmetry is established.
We have developed a tensor network approach to the two-dimensional fully frustrated classical XY spin model on the kagome lattice, and clarified the nature of the possible phase transitions of various topological excitations. We find that the standard tensor network representation for the partition function does not work due to the strong frustrations in the low-temperature limit. To avoid the direct truncation of the Boltzmann weight, based on the duality transformation, we introduce a different representation to build the tensor network with local tensors lying on the centers of the elementary triangles of the kagome lattice. Then the partition function is expressed as a product of one-dimensional transfer matrix operators, whose eigenequation can be solved by the variational uniform matrix product state algorithm accurately. The singularity of the entanglement entropy for the one-dimensional quantum operator provides a stringent criterion for the possible phase transitions. Through a systematic numerical analysis of thermodynamic properties and correlation functions in the thermodynamic limit, we prove that the model exhibits a single Berezinskii-Kosterlitz-Thouless phase transition only, which is driven by the unbinding of
31 fractional vortex-antivortex pairs determined at ${T}_{c}\ensuremath{\simeq}0.075{J}_{1}$ accurately. The absence of long-range order of chirality or quasi-long-range order of integer vortices has been verified in the whole finite-temperature range. Thus, the long-standing controversy about the phase transitions in this fully frustrated XY model on the kagome lattice is solved rigorously, which provides a plausible way to understand the charge-
6e superconducting phase observed experimentally in the two-dimensional kagome superconductors.
In spin systems, geometrical frustration describes the impossibility of minimizing simultaneously all the interactions in a Hamiltonian, often giving rise to macroscopic ground-state degeneracies and emergent low-temperature physics. In this thesis, combining tensor network (TN) methods to Monte Carlo (MC) methods and ground-state energy lower bound approaches, we study two-dimensional frustrated classical Ising models. In particular, we focus on the determination of the residual entropy in the presence of farther-neighbor interactions in kagome lattice Ising antiferromagnets (KIAFM). In general, using MC to determine the residual entropy is a significant challenge requiring ad-hoc updates, a precise evaluation of the energy at all temperatures to allow for thermodynamic integration, and a good control of the finite-size scaling behavior. As an alternative, we turn to TNs; however, we argue that, in the presence of frustration and macroscopic ground-state degeneracy, standard algorithms fail to converge at low temperatures on the usual TN formulation of partition functions. Inspired by methods for constructing ground-state energy lower bounds, we propose a systematic way to find the ground-state local rule using linear programming. Characterizing the rules as tiles that can be tessellated to form ground states of the model gives rise to a natural contractible TN formulation of the partition function. This method provides a direct access to the ground-state properties of frustrated models and, in particular, allows an extremely precise determination of their residual entropy. We then study two models inspired by artificial spin systems on the kagome lattice with out-of-plane (OOP) anisotropy. The first model is motivated by experiments on an array of chirally coupled nanomagnets. We argue that the farther-neighbor to nearest-neighbor couplings ratios in this system are much smaller than in the dipolar case, J2/J1 being of the order of 2%. A comparison of the experimental correlations with the results of extensive TN and MC simulations shows that (1) the experimental second- and third-neighbor correlations are inverted as compared to those of a pure nearest-neighbor model at equilibrium (even with a magnetic field), and (2) second-neighbor couplings as small as 1% of the nearest-neighbor couplings will affect the spin-spin correlations even at fairly high temperatures. Motivated by dipolar coupled artificial spin systems, we turn to the progressive lifting of the ground-state degeneracy of the KIAFM. We provide a detailed study of the ground-state phases of this model with up to third neighbor interactions, for arbitrary J2, J3 such that J1 >> J2, J3, obtaining exact results for the ground-state energies. When all couplings are antiferromagnetic, we exhibit three macroscopically degenerate ground-state phases and establish their residual entropy using our TN approach. Furthermore, in the phase corresponding to the dipolar KIAFM truncated to third neighbors, we use the ground-state tiles to establish the existence of a mapping to the ground-state manifold of the triangular Ising antiferromagnet.
The fundamental concepts of phases of matter and thermal phase transitions constitute the cornerstone of our understanding of the physical universe. The historical development of the phase transition theory from Landau’s spontaneous symmetry breaking paradigm to modern topological phase transition theories represents a major milestone in the evolution of numerous scientific disciplines. From the perspective of emergent philosophy, the interplay of topological excitations leads to enriched physical phenomena. One prominent prototype is the Berezinskii-Kosterlitz-Thouless (BKT) phase transition, where unbinding of integer vortices occurs in the absence of spontaneous breaking of continuous U(1) symmetry. Using the state-of-the-art tensor network methods, we express the partition function of the two-dimensional XY-related system in terms of a product of one-dimensional transfer operators. From the singularities of the entanglement entropy of the one-dimensional transfer operator, we accurately determine the complete phase diagram of the partition function. This method provides new insights into the emergent phenomenon driven by topological excitations, and sheds new light on future studies of 2D systems with continuous symmetries.
In tensor network representation, the partition function of a generalized two-dimensional XY spin model with topological integer and half-integer vortex excitations is mapped to a tensor product of one-dimensional quantum transfer operator, whose eigenequation can be solved by an algorithm of variational uniform matrix product states. Using the singularities of the entanglement entropy, we accurately determine the complete phase diagram of this model. Both the integer vortex-antivortex binding and half-integer vortex-antivortex binding phases are separated from the disordered phase by the usual Berezinskii-Kosterlitz-Thouless (BKT) transitions, while a continuous topological phase transition exists between two different vortex binding phases, exhibiting a logarithmic divergence of the specific heat and exponential divergence of the spin correlation length. A hybrid BKT and Ising universality class of topological phase transition is thus established. We further prove that three phase transition lines meet at a multicritical point from which a deconfinement crossover line extends into the disordered phase.
This thesis treats the classical simulation of strongly-interacting many-body quantum-mechanical systems in more than one dimension using matrix product states and the more general tensor product states. Contrary to classical systems, quantum many-body systems possess an exponentially larger number of degrees of freedom, thereby significantly complicating their numerical treatment on a classical computer. For this thesis two different representations of quantum many-body states were employed. The first, the so-called matrix product states (MPS) form the basis for the extremely successful density matrix renormalization group (DMRG) algorithm. While originally conceived for one-dimensional systems, MPS are in principle capable of describing arbitrary quantum many-body states. Using concepts from quantum information theory it is possible to show that MPS provide a representation of one-dimensional quantum systems that scales polynomially in the number of particles, therefore allowing an efficient simulation of one-dimensional systems on a classical computer. One of the key results of this thesis is that MPS representations are indeed efficient enough to describe even large systems in two dimensions, thereby enabling the simulation of such systems using DMRG. As a demonstration of the power of the DMRG algorithm, it is applied to the Heisenberg antiferromagnet with spin
S=1/2 on the kagome lattice. This model's ground state has long been under debate, with proposals ranging from static spin configurations to so-called quantum spin liquids, states where quantum fluctuations destroy conventional order and give rise to exotic quantum orders. Using a fully
SU(2)-symmetric implementation allowed us to handle the exponential growth of entanglement and to perform a large-scale study of this system, finding the ground state for cylinders of up to 700 sites. Despite employing a one-dimensional algorithm for a two-dimensional system, we were able to compute the spin gap (i.e. the energy gap to the first spinful excitation) and study the ground state properties, such as the decay of correlation functions, the static spin structure factors, and the structure and distribution of the nearest-neighbor spin-spin correlations. Additionally, by applying a new tool from quantum information theory, the topological entanglement entropy, we could also with high confidence demonstrate the ground state of this model to be the elusive gapped
Z2 quantum spin liquid with topological order. To complement this study, we also considered the extension of MPS to higher dimensions, known as tensor product states (TPS). We implemented an optimization algorithm exploiting symmetries for this class of states and applied it to the bilinear-biquadratic-bicubic Heisenberg model with spin
S=3/2 on the
z=3 Bethe lattice. By carefully analyzing the simulation data we were able to determine the presence of both conventional and symmetry-protected topological order in this model, thereby demonstrating the analytically predicted existence of the Haldane phase in higher dimensions within an extended region of the phase diagram. Key properties of this symmetry-protected topological order include a doubling of the levels in the entanglement spectrum and the presence of edge spins, both of which were confirmed in our simulations. This finding simultaneously validated the applicability of the novel TPS algorithms to the search for exotic order.