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Structure factors of s=1/2 spin chains and magnetism at the edges of graphene ribbons

Hamed Karimi

Published Jan 1, 2014• 0 citations
Publisher

Abstract

In this thesis we study two different one dimensional systems. The first project is on the transverse dynamical structure factors of the XXZ spin chain and the second project is on magnetism of zigzag edges of graphene nano-ribbons. In chapter 2, we apply field theory methods, first developed to study x-ray edge singularities, to interacting one-dimensional systems in order to include band curvature effects and study edge singularities at arbitrary momentum. We point out that spin chains with uniform Dzyaloshinskii-Moriya interactions provide an opportunity to test these theories since these interactions may be exactly eliminated by a gauge transformation that shifts the momentum. However, this requires an extension of these x-ray edge methods to the transverse spectral function of the XXZ spin chain in a magnetic field. In chapter 3, by considering the Hubbard model in the weak coupling limit, U << t, for bearded as well as zigzag edges, we argue for existence of magnetic edges. We first present an argument based on Lieb's theorem. Then, projecting the Hubbard interactions onto the flat edge band, we prove that the resulting one-dimensional model has a fully polarized ferromagnetic ground state. We also study excitons and the effects of second neighbor hopping as well as a potential energy term acting on the edge only, proposing a simple and possibly exact phase diagram with the magnetic moment varying smoothly to zero. Finally, we consider corrections of second order in U, arising from integrating out the gapless bulk Dirac excitations.

DOI
10.14288/1.0167603

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Three models of strongly correlated electron systems have been studied in this thesis: the Shastry-Sutherland quantum antiferromagnet, the quantum spin liquid emerging out of correlated Dirac fermions on the honeycomb lattice, and the edge-state magnetism in the graphene nanoribbons. The methods applied are quantum Monte Carlo simulations, namely, stochastic series expansion quantum Monte Carlo for bosonic (spin) systems and projector auxiliary field quantum Monte Carlo for fermionic systems. The stochastic series expansion quantum Monte Carlo method is applied to study the ground state properties as well as the magnetization process of the spin-1/2 easy-axis Heisenberg model on the Shastry-Sutherland lattice. The quantum phase transitions between a N\'eel state, a dimer triplet state and a ferromagnetic XY phase have been characterized by finite size scaling analysis. The crystalline structures of the triplon magnetic excitations in the magnetic plateaus have been identified. The projector auxiliary field quantum Monte Carlo is applied to explore the ground state phase diagram of the SU(2) Hubbard model on the honeycomb lattice. The interplay between the relativistic Dirac dispersion, the vanishing density of states at half-filling and the strong quantum fluctuations, drives the system from a semimetal at weak coupling to an antiferromagnetic Mott insulator in the strong coupling regime. In between these phases there emerges an unexpected quantum spin liquid with no symmetry breaking in any channel. After careful finite size scaling analysis of various correlation functions, the quantum spin liquid phase is characterized as a short-range resonating valence bond state with a finite spin gap to all magnetic excitations. The study of edge-state magnetism in graphene nanoribbons is more experimentally motivated. The projector auxiliary field quantum Monte Carlo method is used to measure the static spin-spin correlation function, the single-particle spectral function, as well as the dynamic spin structure factor along the zigzag edge of graphene nanoribbons. A dominant low energy peak generated by the Coulomb interaction in the single-particle spectral function is identified as the dynamical signature of edge-state magnetism. The magnetic excitations along the zigzag edge show a linear dispersion at low energies due to the effective antiferromagnetic coupling of the edges across the ribbon. The magnetic excitations are damped by scattering processes into the particle-hole continuum at high energies.

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Spin-1/2 chains demonstrate some of the striking effects of interactions and quantum fluctuations in one-dimensional systems. The XXZ model has been used to study the unusual properties of anisotropic spin chains in an external magnetic field. The zero temperature phase diagram for this model exhibits a critical or quasi-long-range-ordered phase which is a realization of a Luttinger liquid. While many static properties of spin-1/2 chains have been explained by combinations of analytical techniques such as bosonization and Bethe ansatz, the standard approach fails in the calculation of some time-dependent correlation functions. I present a study of the longitudinal dynamical structure factor for the XXZ model in the critical regime. I show that an approximation for the line shape of the dynamical structure factor in the limit of small momentum transfer can be obtained by going beyond the Luttinger model and treating irrelevant operators associated with band curvature effects. This approach is able to describe the width of the on-shell peak and the high-frequency tail at finite magnetic field. Integrability is shown to affect the low-energy effective model at zero field, with consequences for the line shape. The power-law singularities at the thresholds of the particle-hole continuum are investigated using an analogy with the X-ray edge problem. Using methods of Bethe ansatz and conformal field theory, I compute the exact exponents for the edge singularities of the dynamical structure factor. The same methods are used to study the long-time asymptotic behavior of the spin self-correlation function, which is shown to be dominated by a high-energy excitation.

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We study the longitudinal and transverse spin dynamical structure factors of the spin-1/2 XXX chain at finite magnetic field h, focusing in particular on the singularities at excitation energies in the vicinity of the lower thresholds. While the static properties of the model can be studied within a Fermi-liquid like description in terms of pseudoparticles, our derivation of the dynamical properties relies on the introduction of a form of the 'pseudofermion dynamical theory' (PDT) of the 1D Hubbard model suitably modified for the spin-only XXX chain and other models with two pseudoparticle Fermi points. Specifically, we derive the exact momentum and spin-density dependences of the exponents ζ(τ)(k) controlling the singularities for both the longitudinal (τ = l) and transverse (τ = t) dynamical structure factors for the whole momentum range k ∈ ]0,π[, in the thermodynamic limit. This requires the numerical solution of the integral equations that define the phase shifts in these exponents expressions. We discuss the relation to neutron scattering and suggest new experiments on spin-chain compounds using a carefully oriented crystal to test our predictions.

arXiv:1503.06416•Journal of Physics Condensed Matter•Sep 24, 2015•9 citations

Topological excitations in quasi two-dimensional quantum magnets with weak interlayer interactions

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over the chiral DM-interaction, the direction of velocity of the edge states become in the same direction (antichiral edge states).Due to conservation of total number of spins in the system a bulk current flows in the opposite direction relative to the antichiral edge current.In this study we suggested the way to break the inversion symmetries in the materials CrSrTe 3 , CrGrTe 3 , AFe 2 (PO 4 ) 2 (A=Ba, Cs, K, La) to achieve antichiral DM-interaction.The presence of antichiral edge states can be detected by using inelastic neutron scattering by detecting the band tilting at K and K points of magnon bands.Moreover we showed that spin noise spectroscopy at the edges is useful measurements to detect the presence of antichiral edge modes.Magnetic force microscopy is also a promising tool to detect the antichiral magnons at edges.The underlying spin-Hamiltonian of the antiferromagnetic systems in the materials like rare-earth tetraborides(RB 4 , R=Er,Tm) and U 2 Pd 2 In can be described by 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scientific writing and presentation skills also improved due to his suggestions.I am really very thankful for being so flexible and allowing me to choose the work and project which interests me most.

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One dimensional quantum magnets have always been an active area of research due to their experimental realizability and the rich physics that they offer. By including geometrical frustration and additional interactions, it leads to even more novel and exotic quantum phases. In this thesis, we present the results of our investigations conducted by extending the quantum systems to spin–1. We conducted static, topological and dynamical calculations numerically on the spin–1 Heisenberg chain with Dzyaloshinskii–Moriya interaction in a uniform magnetic field in the form of a spin–1 Heisenberg chain in a helical magnetic field as well as the spin–1 Heisenberg model on the spin diamond and orthogonal dimer lattices. For the spin–1 Heisenberg chain in a helical field, we obtained the phase diagram using the density matrix renormalization group method and showed conclusively that the helical field destroys any topological order. We also obtained the dynamical spin structure factor spectra to study the magnon band structures and the softening of the modes near phase transitions. We then investigated the spin–1 Heisenberg model on the spin diamond and orthogonal dimer lattices using both exact diagonalization and the density matrix renormalization group method. We obtained the phase diagrams for both systems and explicitly calculated the magnetization, static spin structure and topological order of the different phases. Similar to the spin–1 Heisenberg chain in a helical magnetic field, we also obtained the dynamical spin structure factor spectra to study the characteristics of the lowest excitation occurring in both quantum systems.

•Jan 1, 2020•0 citations
In this thesis we study two different one dimensional systems. The first project is on the transverse dynamical structure factors of the XXZ spin chain and the second project is on magnetism of zigzag edges of graphene nano-ribbons. In chapter 2, we apply field theory methods, first developed to study x-ray edge singularities, to interacting one-dimensional systems in order to include band curvature effects and study edge singularities at arbitrary momentum. We point out that spin chains with uniform Dzyaloshinskii-Moriya interactions provide an opportunity to test these theories since these interactions may be exactly eliminated by a gauge transformation that shifts the momentum. However, this requires an extension of these x-ray edge methods to the transverse spectral function of the XXZ spin chain in a magnetic field. In chapter 3, by considering the Hubbard model in the weak coupling limit, U << t, for bearded as well as zigzag edges, we argue for existence of magnetic edges. We first present an argument based on Lieb's theorem. Then, projecting the Hubbard interactions onto the flat edge band, we prove that the resulting one-dimensional model has a fully polarized ferromagnetic ground state. We also study excitons and the effects of second neighbor hopping as well as a potential energy term acting on the edge only, proposing a simple and possibly exact phase diagram with the magnetic moment varying smoothly to zero. Finally, we consider corrections of second order in U, arising from integrating out the gapless bulk Dirac excitations.
Three models of strongly correlated electron systems have been studied in this thesis: the Shastry-Sutherland quantum antiferromagnet, the quantum spin liquid emerging out of correlated Dirac fermions on the honeycomb lattice, and the edge-state magnetism in the graphene nanoribbons. The methods applied are quantum Monte Carlo simulations, namely, stochastic series expansion quantum Monte Carlo for bosonic (spin) systems and projector auxiliary field quantum Monte Carlo for fermionic systems. The stochastic series expansion quantum Monte Carlo method is applied to study the ground state properties as well as the magnetization process of the spin-1/2 easy-axis Heisenberg model on the Shastry-Sutherland lattice. The quantum phase transitions between a N\'eel state, a dimer triplet state and a ferromagnetic XY phase have been characterized by finite size scaling analysis. The crystalline structures of the triplon magnetic excitations in the magnetic plateaus have been identified. The projector auxiliary field quantum Monte Carlo is applied to explore the ground state phase diagram of the SU(2) Hubbard model on the honeycomb lattice. The interplay between the relativistic Dirac dispersion, the vanishing density of states at half-filling and the strong quantum fluctuations, drives the system from a semimetal at weak coupling to an antiferromagnetic Mott insulator in the strong coupling regime. In between these phases there emerges an unexpected quantum spin liquid with no symmetry breaking in any channel. After careful finite size scaling analysis of various correlation functions, the quantum spin liquid phase is characterized as a short-range resonating valence bond state with a finite spin gap to all magnetic excitations. The study of edge-state magnetism in graphene nanoribbons is more experimentally motivated. The projector auxiliary field quantum Monte Carlo method is used to measure the static spin-spin correlation function, the single-particle spectral function, as well as the dynamic spin structure factor along the zigzag edge of graphene nanoribbons. A dominant low energy peak generated by the Coulomb interaction in the single-particle spectral function is identified as the dynamical signature of edge-state magnetism. The magnetic excitations along the zigzag edge show a linear dispersion at low energies due to the effective antiferromagnetic coupling of the edges across the ribbon. The magnetic excitations are damped by scattering processes into the particle-hole continuum at high energies.
Spin-1/2 chains demonstrate some of the striking effects of interactions and quantum fluctuations in one-dimensional systems. The XXZ model has been used to study the unusual properties of anisotropic spin chains in an external magnetic field. The zero temperature phase diagram for this model exhibits a critical or quasi-long-range-ordered phase which is a realization of a Luttinger liquid. While many static properties of spin-1/2 chains have been explained by combinations of analytical techniques such as bosonization and Bethe ansatz, the standard approach fails in the calculation of some time-dependent correlation functions. I present a study of the longitudinal dynamical structure factor for the XXZ model in the critical regime. I show that an approximation for the line shape of the dynamical structure factor in the limit of small momentum transfer can be obtained by going beyond the Luttinger model and treating irrelevant operators associated with band curvature effects. This approach is able to describe the width of the on-shell peak and the high-frequency tail at finite magnetic field. Integrability is shown to affect the low-energy effective model at zero field, with consequences for the line shape. The power-law singularities at the thresholds of the particle-hole continuum are investigated using an analogy with the X-ray edge problem. Using methods of Bethe ansatz and conformal field theory, I compute the exact exponents for the edge singularities of the dynamical structure factor. The same methods are used to study the long-time asymptotic behavior of the spin self-correlation function, which is shown to be dominated by a high-energy excitation.
This dissertation is devoted to theoretical studies of strongly interacting one-dimensional and quasi one-dimensional electron systems. The properties of one-dimensional electron systems can be studied within the bosonization technique, which presents fermions as collective bosonic density excitations. The power of this approach is the ability to treat electron-electron interaction exactly in the low-energy limit. The approach predicts the failure of Fermi liquid and an absence of long-range order in one-dimensions. The low-energy description of one-dimensional interacting systems is called the Tomonaga-Luttinger liquid theory. For example, the edges of quantum Hall systems are one-dimensional and described by a chiral Tomonaga-Luttinger liquid. Another example is a quantum spin Hall system with helical edge states, which are also described by a Tomonaga-Luttinger liquid. In our first work, a study of magnetized edge states of quantum spin-Hall system is presented. A magnetic field dependent signature of such edges is obtained, which can be verified in a Coulomb drag experiment. The second part of the dissertation is devoted to quasi-one dimensional antiferromagnetic lattices. A spatially anisotropic lattice antiferromagnet can be viewed as an array of one dimensional spin chains coupled in a way to match the lattice symmetry. This allows to use the non-Abelian bosonization technique to describe the low-energy physics of spin chains and study the inter-chain interactions perturbatively. The work presented in the dissertation studies the effect of Dzyaloshinskii-Moriya interaction on the magnetic phase diagram of the spatially anisotropic kagome antiferromagnet. We predict a Dzyaloshinskii-Moriya interaction driven phase transition from Neel to Neel+dimer state. In the third work, a novel model of the fractional quantum Hall effect is given. Wave functions of two-dimensional electrons in strong and quantizing magnetic field are essentially one-dimensional. That invites one to use the one-dimensional phenomenological bosonization to describe the density fluctuations of the two-dimensional interacting electrons in magnetic field. Remarkably, the constructed trial bosonized fermion operator describing the electron states with a fixed Landau gauge momentum is effectively two-dimensional.
We study the longitudinal and transverse spin dynamical structure factors of the spin-1/2 XXX chain at finite magnetic field h, focusing in particular on the singularities at excitation energies in the vicinity of the lower thresholds. While the static properties of the model can be studied within a Fermi-liquid like description in terms of pseudoparticles, our derivation of the dynamical properties relies on the introduction of a form of the 'pseudofermion dynamical theory' (PDT) of the 1D Hubbard model suitably modified for the spin-only XXX chain and other models with two pseudoparticle Fermi points. Specifically, we derive the exact momentum and spin-density dependences of the exponents ζ(τ)(k) controlling the singularities for both the longitudinal (τ = l) and transverse (τ = t) dynamical structure factors for the whole momentum range k ∈ ]0,π[, in the thermodynamic limit. This requires the numerical solution of the integral equations that define the phase shifts in these exponents expressions. We discuss the relation to neutron scattering and suggest new experiments on spin-chain compounds using a carefully oriented crystal to test our predictions.
The study of topological magnetic excitations have attracted widespread attention in the past few years.The wide variety of ground state phases realized in different two-dimensional magnets have emerged as versatile platforms for realizing magnetic analogues of topological phases uncovered in electronic systems over the past two decades.Dzyaloshinskii-Moriya(DM) interactions, that are ubiquitous in many quantum magnets, and has been demonstrated to induce a non-trivial topology in the magnetic excitations in many quantum magnets.In particular, signatures of DM-interaction induced topological features observed in the dispersion of magnetic excitations in the geometrically frustrated Shastry-Sutherland compound SrCu 2 (BO 3 ) 2 and honeycomb ferromagnet CrI 3 have provided the motivation behind the bulk of the research presented in this thesis.In the first chapter we introduce the background and motivation of our study.We showed that the vastly available materials with a possibility of nonzero symmetry allowed DM-interaction motivate us to study the minimal models of interacting spins related to the materials.In the second chapter we have described the methods that is used to study the spin systems.To describe the spin excitations in the long-range ordered system and dimerized system, we use Holstein-Primakoff transformation and bond-operator formalism respectively.The Schwinger Boson mean field theory is applicable for any generic magnetic ground state and useful to study the system at high temperatures compared with Holstein-Primakoff transformation.After transforming the Hamiltonian into a quadratic bosonic Hamiltonian, it is diagonalized by using Bogoliubov-Valatin transformation.Different observables like Berry-curvature, Chern-number, Dynamical Spin structure factor etc. are cal-vii culated by using the single particle wave-function obtained from Bogoliubov-Valatin transformation.A non-zero Berry curvature is a signature of topologically protected edge states in a stripe geometry of a lattice and a systematic way of calculating edge states is also explained in the second chapter.Moreover in the second chapter the usefulness of symmetry in obtaining band degeneracies and the allowed spin-spin interaction terms are also described.The past theoretical studies show the presence of topological magnons in honeycomb ferromagnetic models due to presence of DM-interaction on a next-nearest neighbour bonds.Recently this kind of DM-interaction is detected in the honeycomb ferromagnet CrI 3 .This type of DM-interaction induces chiral edge states of magnon in the system and so we named it as chiral DM-interaction.In the third chapter we show that breaking of inversion symmetry at the center of honeycomb structure gives rise to a extra DM-interaction which we named as anti-chiral DM-interaction.We studied the system by using Schwinger Boson mean field theory and Holstein-Primakoff transformation and show that when the antichiral DM-interaction dominates over the chiral DM-interaction, the direction of velocity of the edge states become in the same direction (antichiral edge states).Due to conservation of total number of spins in the system a bulk current flows in the opposite direction relative to the antichiral edge current.In this study we suggested the way to break the inversion symmetries in the materials CrSrTe 3 , CrGrTe 3 , AFe 2 (PO 4 ) 2 (A=Ba, Cs, K, La) to achieve antichiral DM-interaction.The presence of antichiral edge states can be detected by using inelastic neutron scattering by detecting the band tilting at K and K points of magnon bands.Moreover we showed that spin noise spectroscopy at the edges is useful measurements to detect the presence of antichiral edge modes.Magnetic force microscopy is also a promising tool to detect the antichiral magnons at edges.The underlying spin-Hamiltonian of the antiferromagnetic systems in the materials like rare-earth tetraborides(RB 4 , R=Er,Tm) and U 2 Pd 2 In can be described by using extended Shastry-Sutherland models.In previous theoretical studies it is shown that there is a non-collinear spin-state known as flux state exists in the Shastry-Sutherland model in presence of out of plane DM-interaction.Although the presence of perpendicular component of DM-interactions in the rare-earth materials are not known, it can be induced artificially by using circularly polarized light or using heavy-metal alloys.In the fourth chapter, we studied the magnetic excitations in the flux state on Shastry-Sutherland lattice in-First of all, I would like to thank my research supervisor Prof. Pinaki Sengupta for his continuous support and guidance throughout my Ph.D. study on and off the field.whenever I went to his office with a problem he always welcomed me and assisted me.He has encouraged and inspired me to become an independent researcher and developed my critical thinking.I am really grateful to him as a person who introduced me the field of research.Moreover my scientific writing and presentation skills also improved due to his suggestions.I am really very thankful for being so flexible and allowing me to choose the work and project which interests me most.
One dimensional quantum magnets have always been an active area of research due to their experimental realizability and the rich physics that they offer. By including geometrical frustration and additional interactions, it leads to even more novel and exotic quantum phases. In this thesis, we present the results of our investigations conducted by extending the quantum systems to spin–1. We conducted static, topological and dynamical calculations numerically on the spin–1 Heisenberg chain with Dzyaloshinskii–Moriya interaction in a uniform magnetic field in the form of a spin–1 Heisenberg chain in a helical magnetic field as well as the spin–1 Heisenberg model on the spin diamond and orthogonal dimer lattices. For the spin–1 Heisenberg chain in a helical field, we obtained the phase diagram using the density matrix renormalization group method and showed conclusively that the helical field destroys any topological order. We also obtained the dynamical spin structure factor spectra to study the magnon band structures and the softening of the modes near phase transitions. We then investigated the spin–1 Heisenberg model on the spin diamond and orthogonal dimer lattices using both exact diagonalization and the density matrix renormalization group method. We obtained the phase diagrams for both systems and explicitly calculated the magnetization, static spin structure and topological order of the different phases. Similar to the spin–1 Heisenberg chain in a helical magnetic field, we also obtained the dynamical spin structure factor spectra to study the characteristics of the lowest excitation occurring in both quantum systems.