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arXiv:2311.04553

Geometric and bond frustration in transverse field Ising clusters

Abhiraj Jalagekar

Published Nov 8, 2023• 0 citations
arXivHTMLPDF

Abstract

The Ising model, often seen as the paradigmatic spin model, has been heavily studied for its mathematical description of ferromagnetism in statistical mechanics. We explore a quantum version of this model, the transverse field Ising model, and investigate how the quantum property of magnetization fluctuates with geometrical frustration, a phenomenon arising from the geometry of a spin system's ground state. We introduce a general measure for frustration and then implement a computational model built in Python that translates spin lattices into adjacency matrices, solves the spectrum of the transverse field Ising model, calculates the expected magnetization of the ground state, plots the variable over randomly generated spin systems with controllable degrees of geometrical frustration, and compares the evolution of these plots over an increasing transverse field. Our finite-size studies exhibit an expected decrease in magnetization with increasing frustration and suggest the possibility of robust phases in the large N limit over finite ranges of frustration, which may be precursors to spin liquids or spin glasses.

DOI
10.48550/arxiv.2311.04553

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The Ising model, often seen as the paradigmatic spin model, has been heavily studied for its mathematical description of ferromagnetism in statistical mechanics. We explore a quantum version of this model, the transverse field Ising model, and investigate how the quantum property of magnetization fluctuates with geometrical frustration, a phenomenon arising from the geometry of a spin system's ground state. We introduce a general measure for frustration and then implement a computational model built in Python that translates spin lattices into adjacency matrices, solves the spectrum of the transverse field Ising model, calculates the expected magnetization of the ground state, plots the variable over randomly generated spin systems with controllable degrees of geometrical frustration, and compares the evolution of these plots over an increasing transverse field. Our finite-size studies exhibit an expected decrease in magnetization with increasing frustration and suggest the possibility of robust phases in the large N limit over finite ranges of frustration, which may be precursors to spin liquids or spin glasses.
In this research work, frustrations arising from the geometries of triangular lattices have been studied with the aid of Ising and Heisenberg models. The study reveals that geometrical frustrations can generate multiple degeneracies in the ground state. The quantum spin flip terms in the Heisenberg model are observed to play a vital role in the partial lifting up of these degeneracies. Hence, multiple degeneracies as consequence of frustrations are more pronounced for the Ising systems, which are devoid of quantum fluctuations. The observed six- and four-fold ground state degeneracies at zero field for three spins Ising and Heisenberg systems respectively are broken down to half at finite longitudinal fields. For this three-spin system, quantum phase transitions (QPT) are observed at critical longitudinal fields of J and 1.5J respectively for the Ising and Heisenberg models. At these critical fields, the ground states are observed to shift from quasi-antiferromagnet to ferromagnet. However, for the Heisenberg three-spin system in the presence of a transverse field, no transition is observed.
We report on a systematic study of two-dimensional, periodic, frustrated Ising models with quantum dynamics introduced via a transverse magnetic field. The systems studied are the triangular and kagom\'e lattice antiferromagnets, fully frustrated models on the square and hexagonal (honeycomb) lattices, a planar analog of the pyrochlore antiferromagnet, a pentagonal lattice antiferromagnet, as well as two quasi-one-dimensional lattices that have considerable pedagogical value. All of these exhibit a macroscopic degeneracy at T=0T=0T=0 in the absence of the transverse field, which enters as a singular perturbation. We analyze these systems with a combination of a variational method at weak fields, a perturbative Landau-Ginzburg-Wilson approach from large fields, as well as quantum Monte Carlo simulations utilizing a cluster algorithm. Our results include instances of quantum order arising from classical criticality (triangular lattice) or classical disorder (pentagonal and probably hexagonal) as well as notable instances of quantum disorder arising from classical disorder (kagom\'e). We also discuss the effect of finite temperature, as well as the interplay between longitudinal and transverse fields---in the kagom\'e problem the latter gives rise to a nontrivial phase diagram with bond-ordered and bond-critical phases in addition to the disordered phase. We also note connections to quantum-dimer models and thereby to the physics of Heisenberg antiferromagnets in short-ranged resonating valence-bond phases that have been invoked in discussions of high-temperature superconductivity.
A systematic study of both classical and quantum geometric frustrated Ising models with a competing ordering mechanism is reported in this paper. The ordering comes in the classical case from a coupling of two-dimensional (2D) layers and in the quantum model from the quantum dynamics induced by a transverse field. By mapping the Ising models on a triangular lattice to elastic lattices of noncrossing strings, we derive an exact relation between the spin variables and the displacement field of the strings. Using this map for both the classical (2+1)D(2+1)\mathrm{D}(2+1)D stacked model and the quantum frustrated 2D system, we obtain a microscopic derivation of an effective Hamiltonian which was proposed before on phenomenological grounds within a Landau-Ginzburg-Wilson approach. In contrast to the latter approach, our derivation provides the coupling constants and hence the entire transverse field-versus-temperature phase diagram can be deduced, including the universality classes of both the quantum and the finite-temperature transitions. The structure of the ordered phase is obtained from a detailed entropy argument. We compare our predictions to recent simulations of the quantum system and find good agreement. We also analyze the connections to a dimer model on the hexagonal lattice and its height profile representation, providing a simple derivation of the continuum free energy and a physical explanation for the universality of the stiffness of the height profile for anisotropic couplings.
The Ising model in transverse magnetic field is perhaps the simplest quantum spin model, yet the elements of site disorder, random magnetic fields, and tunable quantum fluctuations permit a rich array of ground states, and the rare ability to emphasize their classical or quantum character. We briefly review in this chapter experimental results from chains to crystals of spins, with magnetic, glassy, and spin liquid ground states. Singlet Ground State Magnets In a crystalline lattice, the crystal fields often take a form such that the ground states of magnetic ions are singlets separated from the higher lying spin multiplets. Sufficiently strong magnetic dipolar or exchange couplings between different sites can mix the singlets with the multiplets enough so as to induce non-zero expectation values for the magnetic dipoles at individual sites. Examples of this phenomenon are generally found among metals and insulators based on rare earths. Such metals were a subject of extensive research in the 1960's and 1970's, and the book by MacKintosh and Jensen [408] gives an excellent account of both the data as well as mean field approaches. With respect to insulating materials, LiTbF 4 emerged as a model system in the 1970's. It is an example of an ideal Ising dipolar coupled ferromagnet; here the long-range nature of the dipolar interactions leads to an upper critical dimension [149] (at which mean field theory with logarithmic corrections calculable using RG methods becomes an exact description of thermal phase transitions) of three rather than four. LiTbF 4 belongs to the LiREF 4 isostructural series of ionic salts. Li and F carry valences +1 and −1 respectively, leaving RE, which can be any rare earth atom or the nonmagnetic element Y, with a valence of +3. Figure 14.1 shows the body-centered tetragonal crystal structure for the family.
When sizable quantum fluctuations and strong frustration mechanisms act in concert to repel the formation of conventional long-range order in quantum magnets, they can make way for massively entangled spin liquid phases which may imbue the material with extraordinary properties. \nThe search for such curious phases of matter has proceeded for several decades, gaining extra momentum some fifteen years ago when Kitaev proposed an analytically solvable model for a quantum spin liquid with anyonic excitations on the basis of realistic microscopic spin exchange terms [Kitaev, Annals of Physics 321, 2 (2006)]. Attempts to identify different models or materials which harbor quantum spin liquid ground states have kept researchers -- experimentalists and theorists alike -- in suspense ever since. However, the simulation of quantum many-body systems poses a serious challenge even to modern numerical techniques, particularly in the case of frustrated quantum magnetism in three spatial dimensions. Such models evade tractability by many established approaches, leaving a methodological void. \n \nIn this thesis, we report on recent progress in cutting-edge implementations of the pseudo-fermion functional renormalization group (pf-FRG), which has originally been proposed by Reuther and Wölfle in the context of two-dimensional frustrated quantum magnetism with highly symmetric spin interactions [Reuther and Wölfle, Phys. Rev. B 81, 144410 (2010)]. Reflecting the growing interest in models with SU(2) symmetry-breaking spin exchange terms that has followed the unearthing of Kitaev's honeycomb model, we present a generalized implementation of the pf-FRG which is suited to numerically simulate arbitrary microscopic models with diagonal or off-diagonal two-spin interactions, even in three-dimensional frustrated quantum magnets. We provide insight into the inner workings of the method which has emerged over the course of the last couple of years, arguing that the pf-FRG formalism simultaneously combines aspects of a large-S expansion as well as a large-N expansion on equal footing, thus being able to resolve the subtle interplay between magnetic ordering tendencies and disruptive quantum fluctuations. \n \nMoreover, on a case by case basis we explore the stability of quantum spin liquids in paradigmatic models of frustrated quantum magnetism and elucidate the joint action of geometric frustration, exchange frustration, and quantum fluctuations to inhibit the formation of magnetic long-range order. Examples include: (i) a Heisenberg spin model on the three-dimensional diamond lattice where geometric frustration arises from antiferromagnetic next-nearest neighbor interactions. The additional competition with nearest neighbor interactions leads to an unusually large ground state degeneracy already on classical level. The quantum-to-classical transition is studied by systematically varying the spin length and the different roles of quantum fluctuations and thermal fluctuations are discussed. The theory is applied to interpret experiments on the spin-liquid candidate NiRh2O4; (ii) a Heisenberg antiferromagnet on the face centered cubic lattice which is augmented by competing bond-directional interactions, evolving around the concurrent manifestation of geometric frustration and exchange frustration. A situation is identified where both mechanisms collude to give rise to an unusually large degree of frustration over a wide parameter regime. We discuss related experimental findings on the highly frustrated iridate compound Ba2CeIrO6; (iii) a Heisenberg antiferromagnet on the kagome lattice with additional Dzyaloshinskii-Moriya interactions. The robustness of the unperturbed kagome antiferromagnet's spin liquid ground state against low-symmetry Dzyaloshinskii-Moriya interactions is investigated. Implications for the spin-liquid candidate herbertsmithite are discussed.