Thesis (Ph.D.)--Boston University / PLEASE NOTE: Boston University Libraries did not receive an Authorization To Manage form for this thesis or dissertation. It is therefore not openly accessible, though it may be available by request. If you are the author or principal advisor of this work and would like to request open access for it, please contact us at open-help@bu.edu. Thank you. / Quantum spin models are useful in many areas of physics, such as strongly correlated materials and quantum phase transitions, or, generally, quantum many-body systems. Most of the models of interest are not analytically solvable. Therefore they are often investigated using computational methods. However, spin models with frustrated interactions are not easily simulated numerically with existing methods, and more effective algorithms are needed. In this thesis, I will cover two areas of quantum spin research: 1. studies of several quantum spin models and 2. development of more efficient computational methods. The discussion of the computational methods and new algorithms is integrated with the physical properties of the models and new results obtained. I study the frustrated S=1/2 J1-J2 model Heisenberg model, the J-Q model, the Ising model with a transverse magnetic field, and a two-orbital spin model describing the magnetic properties of iron pnictides. I will discuss several computational algorithms, including a cluster variational method using mean-field boundary conditions, variational quantum Monte Carlo simulation with clusters-based wave functions, as well as a method I call "optilization" -- an algorithm constructed in order to accelerate the process of optimization with a large number of parameters. I apply it to matrix product states. / 2031-01-02

Quantum phenomena in high-Tc superconductors and dimerized quantum Heisenberg antiferromagnets are studied analytically in this thesis. The implications of the Fermi surface consisting of the disjoint pieces, observed in cuprate superconductors, are considered. It is demonstrated that in this case the g-wave superconducting pairing is closely related to d-wave pairing. The superconductivity in this system can be described in terms of two almost degenerate superconducting condensates. As a result a new spatial scale lg, much larger than the superconducting correlation length x, arises and a new collective excitation corresponding to the relative phase oscillation between condensates, the phason, should exist. The Josephson tunneling for such a two-component system has very special properties. It is shown that the presence of g-wave pairing does not contradict the existing SQUID experimental data on tunneling in the ab-plane. Possible ways to experimentally reveal the g-wave component and the phason in a single tunnel junction, as well as in SQUID experiments, are discussed. The dimerized quantum spin models studied in this thesis include double-layer and alternating chain Heisenberg antiferromagnets. To account for strong correlations between the S=1 elementary excitations (triplets) in the dimerized phase; the analytic Brueckner diagram approach based on a description of the excitations as triplets above a strong-coupling singlet ground state; has been applied. The quasiparticle spectrum is calculated by treating the excitations as a dilute Bose gas with infinite on-site repulsion. Analytical calculations of physical observables are in excellent agreement with numerical data.Results obtained for double layer antiferromagnet near the (zero temperature) quantum critical point coincide with those previously obtained within the nonlinear s model approach Additional singlet (S=0) and triplet (S=1) modes are found as two-particle bound states of the elementary triplets in the Heisenberg chain with frustration.

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No description available.

The open spin-1/2 XXZ quantum spin chain with general integrable boundary terms is a fundamental integrable model. Finding a Bethe Ansatz solution for this model has been a subject of intensive research for many years. Such solutions for other simpler spin chain models have been shown to be essential for calculating various physical quantities, e.g., spectrum, scattering amplitudes, finite size corrections, anomalous dimensions of certain field operators in gauge field theories, etc. The first part of this dissertation focuses on Bethe Ansatz solutions for open spin chains with nondiagonal boundary terms. We present such solutions for some special cases where the Hamiltonians contain two free boundary parameters. The functional relation approach is utilized to solve the models at roots of unity, i.e., for bulk anisotropy values eta = i pi/(p+1) where p is a positive integer. This approach is then used to solve open spin chain with the most general integrable boundary terms with six boundary parameters, also at roots of unity, with no constraint among the boundary parameters. The second part of the dissertation is entirely on applications of the newly obtained Bethe Ansatz solutions. We first analyze the ground state and compute the boundary energy (order 1 correction) for all the cases mentioned above. We extend the analysis to study certain excited states for the two-parameter case. We investigate low-lying excited states with one hole and compute the corresponding Casimir energy (order 1/N correction) and conformal dimensions for these states. These results are later generalized to many-hole states. Finally, we compute the boundary S-matrix for one-hole excitations and show that the scattering amplitudes found correspond to the well known results of Ghoshal and Zamolodchikov for the boundary sine-Gordon model provided certain identifications between the lattice parameters (from the spin chain Hamiltonian) and infrared (IR) parameters (from the boundary sine-Gordon S-matrix) are made.

This dissertation deals with the dynamics of interacting quantum and classical spin models and the question of whether and to which degree the dynamics of these models agree with each other. For this purpose, XXZ models are studied on different lattice geometries of finite size, ranging from one-dimensional chains and quasi-one-dimensional ladders to two-dimensional square lattices. Particular attention is paid to the high-temperature analysis of the temporal behavior of autocorrelation functions for both the local density of magnetization (spin) and energy, which are closely related to transport properties of the considered models. Due to the conservation of total energy and total magnetization, the dynamics of such densities are expected to exhibit hydrodynamic behavior for long times, which manifests itself in a power-law tail of the autocorrelation function in time. From a quantum mechanical point of view, the calculation of these autocorrelation functions requires solving the linear Schrödinger equation, while classically Hamilton’s equations of motion need to be solved. An efficient numerical pure-state approach based on the concept of typicality enables circumventing the costly numerical method of exact diagonalization and to treat quantum autocorrelation functions with up to N = 36 lattice sites in total. While, in full generality, a quantitative agreement between quantum and classical dy- namics can not be expected, contrarily, based on large-scale numerical results, it is demonstrated that the dynamics of the quantum S = 1/2 and classical spins coincide, not only qualitatively, but even quantitatively, to a remarkably high level of accuracy for all considered lattice geometries. The agreement particularly is found to be best in the case of nonintegrable quantum models (quasi-one-dimensional and two-dimensional lattice), but still satisfactory in the case of integrable chains, at least if transport properties are not dominated by the extensive number of conservation laws. Additionally, in the context of disordered spin chains, such an agreement of the dynamics is found to hold even in the presence of small values of disorder, while at strong disorder the agreement is pronounced most for larger spin quantum numbers. Finally, it is shown that a putative many-body localization transition within the one- dimensional spin chain is shifted to stronger values of disorder with increasing spin quantum number. It is concluded that classical or semiclassical simulations might provide a meaningful strategy to investigate the quantum dynamics of strongly interacting quantum spin models, even if the spin quantum number is small and far from the classical limit.

The Kitaev model has become a source of much excitement in the field of condensed matter. It is a two dimensional model of spins ½ on a honeycomb lattice with bond-dependent interactions. Its interesting properties include a quantum spin liquid ground state and anyonic excitations. These properties could lead to exciting applications in quantum computing if materials were found to behave similarly to the Kitaev model. Such materials have been found, however the Kitaev model is too simple to describe these materials and additional interactions must be considered. The Heisenberg interaction is one such additional interaction. As such, we can define the Kitaev-Heisenberg model by combining the Kitaev and Heisenberg interactions. We can now ask ourselves if the quantum spin liquid ground state and anyonic excitations still exist in the Kitaev-Heisenberg model. To answer this question, a non-local string order parameter has been defined which is non-zero inside the quantum spin liquid phase and zero outside of it. This string order parameter was shown to exist and survive the Heisenberg interaction on the 2-leg ladder. In this thesis, we look to expand this result to multileg ladders such as the 3-leg, 4-leg, and 5-leg ladders to see if the string order parameter survives in the Kitaev-Heisenberg model in 2 dimensions. Our results show that the string order parameter does exist in multileg ladders, however the phase space window in which it survives the Heisenberg interaction is narrower than in the 2-leg ladder. / Thesis / Master of Science (MSc)

Thesis advisor: Michael J. Graf / Quantum spin liquids (QSL)’s have been one of the most hotly researched areas ofcondensed matter physics for the past decade. Yet, science has yet to unconditionally identify any one system as harboring a QSL state. This is because QSL’s are largely defined as systems whose electronic spins do not undergo a thermodynamic transition as T→0. Quantum spin liquids remain fully paramagnetic, including dynamical spin fluctuations, at T=0. As a result, distinguishing a QSL system from a conventionally disordered system remains an outstanding challenge. If a system spin freezes or magnetically orders, it cannot be a QSL. In this thesis I present published experiments I have performed on QSL candidate materials. By using muon spin rotation (μSR) and AC magnetic susceptibility I have evaluated the ground states of several candidates for the absence of long-range magnetic disorder and low-temperature spin-fluctuations. For the systems which order or spin-freeze, my research provided key knowledge to the field of frustrated magnetism. The systems I studied are as follows: The geometrically frustrated systems NaYbO2 and LiYbO2; the Kitaev honeycomb systems Cu2IrO3 and Ag3LiIr2O6; and the metallic kagome system KV3Sb5. Each of these systems brought new physics to the field of frustrated magnetism. NaYbO2 is a promising QSL candidate. LiYbO2 harbors an usual form of spiral incommensurate order that has a staggered transition. Cu2IrO3 has charge state disorder that results in a magnetically inhonogenious state. Ag3LiIr2O6 illustrates the role structural disorder plays in disguising long-range magnetic order. And finally, KV3Sb5 isn’t conventionally magnetic at all; our measurements ruled out ionic magnetism and uncovered a type-II superconductor. Our measurements on KV3Sb5 stimulated further research into KV3Sb5 and it’s unconventional electronic states. / Thesis (PhD) — Boston College, 2022. / Submitted to: Boston College. Graduate School of Arts and Sciences. / Discipline: Physics.

<p> Effects of electron correlations on a two dimensional quantum spin Hall system are studied. We examine possible phases of a generalized Hubbard model on a bilayer honeycomb lattice with a spin-orbit coupling and short range electron-electron repulsions at half filling, based on the slave rotor mean-field theory. The phase diagram of the model is found for a special case where the interlayer Coulomb repulsion is comparable to the intralayer Coulomb repulsion.</p> <p> Besides the conventional quantum spin Hall phase and a broken-symmetry insulating phase, we find a new phase, a fractionalized quantum spin Hall phase, where the quantum spin Hall effect arises for fractionalized spinons which carry only spin but not charge. Experimental manifestations of the exotic phase and effects of fluctuations beyond the saddle point approximation are also discussed.</p> <p> We finally study a toy Bose-Hubbard model for the charge sector of the theory to gain some insight into the phase diagram away from the special Coulomb repulsion values.</p> / Thesis / Master of Science (MSc)

We present in this thesis a series of studies on the physical properties of some one dimensional systems. In particular we study the low energy properties of various spin chains and a junction of Luttinger wires. For spin chains we specifically look at the role of perturbations like frustrating interactions and dimerisation in a nearest neighbour chain and the formation of magnetisation plateaus in two kinds of models; one purely theoretical and the other motivated by experiments. In our second subject of interest we study using a renormalisation group analysis the effect of spin dependent scattering at a junction of Luttinger wires. We look at the physical effects caused by the interplay of electronic interactions in the wires and the scattering processes at the junction. The thesis begins with an introductory chapter which gives a brief glimpse of the ideas and techniques used in the specific problems that we have worked on. Our work on these problems is then described in detail in chapters 25. We now present a brief summary of each of those chapters. In the second chapter we look at the ground state phase diagram of the mixed-spin sawtooth chain, i.e a system where the spins along the baseline are allowed to be different from the spins on the vertices. The spins S1 along the baseline interact with a coupling strength J1(> 0). The coupling of the spins on the vertex (S2) to the baseline spins has a strength J2. We study the phase diagram as a function of J2/J1 [1]. The model exhibits a rich variety of phases which we study using spinwave theory, exact diagonalisation and a semi-numerical perturbation theory leading to an effective Hamiltonian. The spinwave theory predicts a transition from a spiral state to a ferrimagnetic state at J2S2/2J1S1 = 1 as J2/J1 is increased. The spectrum has two branches one of which is gapless and dispersionless (at the linear order) in the spiral phase. This arises because of the infinite degeneracy of classical ground states in that phase. Numerically, we study the system using exact diagonalisation of up to 12 unit cells and S1 = 1 and S2 =1/2. We look at the variation of ground state energy, gap to the lowest excitations, and the relevant spin correlation functions in the model. This unearths a richer phase diagram than the spinwave calculation. Apart from revealing a possibility of the presence of more than one kind of spiral phases, numerical results tell us about a very interesting phase for small J2. The spin correlation function (for the spin1/2s) in this region have a property that the nextnearest-neighbour correlations are much larger than the nearest neighbour correlations. We call this phase the NNNAFM (nextnearest neighbour antiferromagnet) phase and provide an understanding of this phase by deriving an effective Hamiltonian between the spin1/2s. We also show the existence of macroscopic magnetisation jumps in the model when one looks at the system close to saturation fields. The third chapter is concerned with the formation of magnetisation plateaus in two different spin models. We show how in one model the plateaus arise because of the competition between two coupling constants, and in the other because of purely geometrical effects. In the first problem we propose [2] a class of spin Hamiltonians which include as special cases several known systems. The class of models is defined on a bipartite lattice in arbitrary dimensions and for any spin. The simplest manifestation of such models in one dimension corresponds to a ladder system with diagonal couplings (which are of the same strength as the leg couplings). The physical properties of the model are determined by the combined effects of the competition between the ”rung” coupling (J’ )and the ”leg/diagonal” coupling (J ) and the magnetic field. We show that our model can be solved exactly in a substantial region of the parameter space (J’ > 2J ) and we demonstrate the existence of magnetisation plateaus in the solvable regime. Also, by making reasonable assumptions about the spectrum in the region where we cannot solve the model exactly, we prove the existence of first order phase transitions on a plateau where the sublattice magnetisations change abruptly. We numerically investigate the ladder system mentioned above (for spin1) to confirm all our analytical predictions and present a phase diagram in the J’/J - B plane, quite a few of whose features we expect to be generically valid for all higher spins. In the second problem concerning plateaus (also discussed in chapter 3) we study the properties of a compound synthesised experimentally [3]. The essential feature of the structure of this compound which gives rise to its physical properties is the presence of two kinds of spin1/2 objects alternating with each other on a helix. One kind has an axis of anisotropy at an inclination to the helical axis (which essentially makes it an Ising spin) whereas the other is an isotropic spin1/2 object. These two spin1/2 objects interact with each other but not with their own kind. Experimentally, it was observed that in a magnetic field this material exhibits magnetisation plateaus one of which is at 1/3rd of the saturation magnetisation value. These plateaus appear when the field is along the direction of the helical axis but disappear when the field is perpendicular to that axis. The model being used for the material prior to our work could not explain the existence of these plateaus. In our work we propose a simple modification in the model Hamiltonian which is able to qualitatively explain the presence of the plateaus. We show that the existence of the plateaus can be explained using a periodic variation of the angles of inclination of the easy axes of the anisotropic spins. The experimental temperature and the fields are much lower than the magnetic coupling strength. Because of this quite a lot of the properties of the system can be studied analytically using transfer matrix methods for an effective theory involving only the anisotropic spins. Apart from the plateaus we study using this modified model other physical quantities like the specific heat, susceptibility and the entropy. We demonstrate the existence of finite entropy per spin at low temperatures for some values of the magnetic field. In chapter 4 we investigate the longstanding problem of locating the gapless points of a dimerised spin chain as the strength of dimerisation is varied. It is known that generalising Haldane’s field theoretic analysis to dimerised spin chains correctly predicts the number of the gapless points but not the exact locations (which have determined numerically for a few low values of spins). We investigate the problem of locating those points using a dimerised spin chain Hamiltonian with a ”twisted” boundary condition [4]. For a periodic chain, this ”twist” consists simply of a local rotation about the zaxis which renders the xx and yy terms on one bond negative. Such a boundary condition has been used earlier for numerical work whereby one can find the gapless points by studying the crossing points of ground states of finite chains (with the above twist) in different parity sectors (parity sectors are defined by the reflection symmetry about the twisted bond). We study the twisted Hamiltonian using two analytical methods. The modified boundary condition reduces the degeneracy of classical ground states of the chain and we get only two N´eel states as classical ground states. We use this property to identify the gapless points as points where the tunneling amplitude between these two ground states goes to zero. While one of our calculations just reproduces the results of previous field theoretic treatments, our second analytical treatment gives a direct expression for the gapless points as roots of a polynomial equation in the dimerisation parameter. This approach is found to be more accurate. We compare the two methods with the numerical method mentioned above and present results for various spin values. In the final chapter we present a study of the physics of a junction of Luttinger wires (quantum wires) with both scalar and spin scattering at the junction ([5],[6]). Earlier studies have investigated special cases of this system. The systems studied were two wire junctions with either a fully transmitting scattering matrix or one corresponding to disconnected wires. We extend the study to a junction of N wires with an arbitrary scattering matrix and a spin impurity at the junction. We study the RG flows of the Kondo coupling of the impurity spin to the electrons treating the electronic interactions and the Kondo coupling perturbatively. We analyse the various fixed points for the specific case of three wires. We find a general tendency to flow towards strong coupling when all the matrix elements of the Kondo coupling are positive at small length scales. We analyse one of the strong coupling fixed points, namely that of the maximally transmitting scattering matrix, using a 1/J perturbation theory and we find at large length scales a fixed point of disconnected wires with a vanishing Kondo coupling. In this way we obtain a picture of the RG at both short and long length scales. Also, we analyse all the fixed points using lattice models to gain an understanding of the RG flows in terms of specific couplings on the lattice. Finally, we use to bosonisation to study one particular case of scattering (the disconnected wires) in the presence of strong interactions and find that sufficiently strong interactions can stabilise a multichannel fixed point which is unstable in the weak interaction limit.