In this thesis superconducting correlations on both a one-dimensional chain and a two-dimensional honeycomb lattice are analyzed using the t-J model Hamiltonian. Both systems use periodic boundary conditions and different electron fillings, and both are solved numerically using the Lanczos algorithm. In order to search for superconducting correlations in the ground state the pair-pair correlation and susceptibility functions are defined. In one dimension the correlation function, at lower electronic fillings, displayed appreciable, non-zero values for all pair-pair separations. In general, the one-dimensional results were consistent with the literature. However, the honeycomb results did not show such strong superconducting correlations, as the correlation function remained close to zero for most separation distances. / Thesis (Master, Physics, Engineering Physics and Astronomy) -- Queen's University, 2008-03-17 14:06:20.094

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Organic conductors are of considerable interest to the condensed matter community. In contrast to conventional metal conductors, these organic materials allow for large variability in their construction giving both quasi-one and two dimensional behavior. Organic superconductors also give useful insight into the properties of general superconductivity as well as insight into the properties of strongly correlated electronic materials. These materials exhibit interesting phenomena like spin-Peierls, antiferromagnetic, and superconducting phases. The aim of this thesis is not only to inform the reader of various studies into organic superconductors but also to advance research into these materials through massively parallel numerical methods. This thesis will cover two studies: a quantum Monte Carlo study on an infinite one-dimensional chain and an exact diagonalization study on a 16-site two-dimensional lattice. These studies will be used to better understand the charge and bond behavior of quasi-one dimensional 1/4illed organic superconductors.

This thesis, comprising three publications, explores the efficacy of novel generalization of the fidelity susceptibility and their numerical application to the study of frustrated quantum phase transitions in two and one dimensions. Specifically, they will be used in exact diagonalization studies of the various limiting cases of the anisotropic next-nearest neighbour triangular lattice Heisenberg model (ANNTLHM). These generalized susceptibilities are related to the order parameter susceptibilities and spin stiffness and are believed to exhibit similar behaviour although with greater sensitivity. This makes them ideal for numerical studies on small systems. Additionally, the utility of the excited-state fidelity and twist boundary conditions will be explored. All studies are done through numerical exact diagonalization. In the limit of interchain couplings going to zero the ANNTLHM reduces to the well studied $J_1-J_2$ chain with a known, difficult to identify, BKT-type transition. In the first publication of this work the generalized fidelity susceptibilities introduced therein are shown to be able to identify this transition as well as characterize the already understood phases it straddles. The second publication of this work then seeks to apply these generalized fidelity susceptibilities, as well as the excited-state fidelity, to the study of the general phase diagram of the ANNTLHM. It is shown that the regular and excited-state fidelities are useful quantities for the mapping of novel phase diagrams and that the generalized fidelity susceptibilities can provide valuable information as to the nature of the phases within the mapped phase regions. The final paper sees the application of twisted boundary conditions to the anisotropic triangular model (next-nearest neighbour interactions are zero). It is demonstrated that these boundary conditions greatly enhance the ability to numerically explore incommensurate physics in small systems. / Thesis / Doctor of Science (PhD)

A rich variety of phases can exist in quantum systems. For example, the fractional quantum Hall states have persistent topological characteristics that derive from strong interaction. This thesis uses the exact diagonalization method to investigate quantum lattice models with strong interaction. Our research topics revolve around quantum phase transitions between novel phases. The goal is to find the best schemes for realizing these novel phases in experiments. We studied the fractional Chern insulator and its transition to uni-directional stripes of particles. In addition, we studied topological Mott insulators with spontaneous time-reversal symmetry breaking induced by interaction. We also studied emergent kinetics in one-dimensional lattices with spin-orbital coupling. The exact diagonalization method and its implementation for studying these systems can easily be applied to study other strongly correlated systems. / PHD / Topological quantum states are a new type of quantum state that have properties that cannot be described by local order parameters. These types of states were first discovered in the 1980s with the integer quantum Hall effect and the fractional quantum Hall effect. In the 2000s, the predicted and experimentally discovered topological insulators triggered studies of new topological quantum states. Studies of strongly correlated systems have been a parallel research topic in condensed matter physics. When combining topological systems with strong correlation, the resulting systems can have novel properties that emerge, such as fractional charge. This thesis summarizes our work that uses the exact diagonalization method to study topological states with strong interaction.

In this dissertation, we use exact diagonalization to study a few strongly correlated systems, ranging from the Fermi-Hubbard model to the fractional quantum Hall effect (FQHE). The discussion starts with an overview of strongly correlated systems and what is meant by strongly correlated. Then, we extend cluster perturbation theory (CPT), an economic method for computing the momentum and energy resolved Green's function for Hubbard models to higher order correlation functions, specifically the spin susceptibility. We benchmark our results for the one-dimensional Fermi-Hubbard model at half-filling. In addition we study the FQHE at fillings $nu = 5/2$ for fermions and $nu = 1/2$ for bosons. For the $nu = 5/2$ system we investigate a two-body model that effectively captures the three-body model that generates the Moore-Read Pfaffian state. The Moore-Read Pfaffian wave function pairs composite fermions and is believed to cause the FQHE at $nu = 5/2$. For the $nu = 1/2$ system we estimate the entropy needed to observe Laughlin correlations with cold atoms via an ansatz partition function. We find entropies achieved with conventional cooling techniques are adequate. / Doctor of Philosophy / Strongly correlated quantum many-body physics is a rich field that hosts a variety of exotic phenomena. By quantum many-body we mean physics that is concerned with the behavior of interacting particles, such as electrons, where the quantum behavior cannot be ignored. By strongly correlated, we mean when the interactions between particles are sufficiently strong such that they cannot be treated as a small perturbation. In contrast to weakly correlated systems, strongly correlated systems are much more difficult to solve. That is because methods that reduce the many-body problem to a single independent body problem do not work well. In this dissertation we use exact diagonalization, a method to computationally solve quantum many-body systems, to study two strongly correlated systems: the Hubbard model and the fractional quantum Hall effect.The Hubbard model captures the physics of many interesting materials and is the standard toy model. Originally developed with magnetic properties in mind, it has been extended to study superconductivity, topological phases, cold atoms, and much more. The fractional quantum Hall effect is a novel phase of matter that hosts exotic excitations, some of which may have applications to quantum computing.

An extended Hubbard model with large short and long-ranged Coulomb repulsions and distant transfer is numerically investigated by use of the Lanczos exact diagonalization (ED) method to study the charge order and unconditional dimerization of a chain at density rho (ρ)= 0.4. From the analysis of the spin and charge correlation functions, a picture consistent with the formation of a dimer insulating state, which is of Wigner lattice-type (WL) charge order (CO), is obtained. The next-nearest neighbour (NNN) hopping t2 enhances the intradimer correlations and weakens the interdimer correlations. Implications for the CuO2 chains in Sr14Cu24O41 are discussed.We have also introduced a Heisenberg model which parametrically depends on hole positions. If the electrostatic hole-hole repulsion is included such a model allows to evaluate all energy eigenvalues and eigenstates (for small system size) and thus enables us to evaluate thermodynamic properties as function of temperature,magnetic field, and doping. Assuming certain exchange constants we can investigate the influence of the electrostatic hole-hole repulsion on ground state properties as well as on thermal averages like the magnetization which include contributions of low-lying spin-hole configurations.

Charge excitations in different 3d transition metal compounds are studied. In particular, the influence of the lattice geometry on the character of these excitations is investigated. For this purpose, the momentum dependent loss function of electron energy-loss spectroscopy (EELS) as well as the optical conductivity are calculated and compared with the experimental data of NaV$_{2}$O$_{5}$, LiV$_{2}$O$_{5}$, Sr$_{2}$CuO$_{3}$, and CuGeO$_{3}$ . A quarter-filled extended Hubbard model on a system of coupled ladders provides a qualitative explanation for the highly anisotropic charge excitations of NaV$_{2}$O$_{5}$ and LiV$_{2}$O$_{5}$. These ladder compounds do not only differ from the charge ordering pattern but also from the coupling between different ladders: In LiV$_{2}$O$_{5}$ one finds a strong inter-ladder hopping which is very small in NaV$_{2}$O$_{5}$. On the other hand, in NaV$_{2}$O$_{5}$ the ladders are coupled by a strong inter-ladder Coulomb interaction. The charge excitations of quasi one-dimensional cuprates reflect both the properties of the CuO$_{4}$ plaquettes and the character of the coupling between different plaquettes. Independently from the geometry of the cuprat chains, the local excitation of the copper hole onto the adjacent oxygen orbitals is always found. Further transitions with an excitation energy below the local excitation of a single plaquette result from a hole transfer to another plaquette. These excitations with hole delocalization dominate the spectra of the corner-shared Sr$_{2}$CuO$_{3}$. In contrast to this, the hole transfer leads only to a pre-peak in the spectra of the edge-shared CuGeO$_{3}$. Furthermore, it is shown that the hole transfer is determined by the geometry of the edge-shared CO. / Gegenstand dieser Arbeit ist die theoretische Analyse von Ladungsanregungen in verschiedenen niedrigdimensionalen 3d-Übergangsmetallverbindungen, wobei insbesondere der Einfluß der Gittergeometrie auf die Charakteristik der Anregungen untersucht wurde. Mit Hilfe des Lanczos-Algorithmus' wurden dazu sowohl die impulsabhängige Verlustfunktion der Elektron-Energie-Verlust-Spektroskopie (EELS) als auch die optische Leitfähigkeit für NaV$_{2}$O$_{5}$, LiV$_{2}$O$_{5}$, Sr$_{2}$CuO$_{3}$ und CuGeO$_{3}$ berechnet und mit den experimentellen Ergebnissen verglichen. Unter der Verwendung eines Modells viertelgefüllter Leitern kann man die Ladungsanregungen sowohl für NaV$_{2}$O$_{5}$ als auch LiV$_{2}$O$_{5}$ sehr gut beschreiben. In diesen Materialien findet man nicht nur unterschiedliche Ladungsordnungen sondern vor allem auch verschiedene Kopplungsarten zwischen den Leitern. Während die Leitern im NaV$_{2}$O$_{5}$ durch die Coulomb-Wechselwirkung miteinander gekoppelt sind, existiert im LiV$_{2}$O$_{5}$ ein Austausch aufgrund einer starken Hybridisierung zwischen den Leitern. Die Ladungsanregungen von quasi eindimensionalen Kupratketten spiegeln sowohl die Plaketteneigenschaften als auch die Plakettenkopplung wider. Unabhängig von der Geometrie der Ketten findet man stets die lokale Anregung des Kupferloches auf die umliegenden Sauerstofforbitale. Aus einem möglichen Lochtransfer zu benachbarten Plaketten resultieren außerdem noch Anregungen, die energetisch unterhalb der Plakettenanregung liegen und unmittelbar von der Kettengeometrie abhängen. Während im eckenvernetzten Sr$_{2}$CuO$_{3}$ diese Anregungen die Spektren dominieren, spielt der Lochtransfer im kantenvernetzten CuGeO$_{3}$ nur eine untergeordnete Rolle.

Charge excitations in different 3d transition metal compounds are studied. In particular, the influence of the lattice geometry on the character of these excitations is investigated. For this purpose, the momentum dependent loss function of electron energy-loss spectroscopy (EELS) as well as the optical conductivity are calculated and compared with the experimental data of NaV$_{2}$O$_{5}$, LiV$_{2}$O$_{5}$, Sr$_{2}$CuO$_{3}$, and CuGeO$_{3}$ . A quarter-filled extended Hubbard model on a system of coupled ladders provides a qualitative explanation for the highly anisotropic charge excitations of NaV$_{2}$O$_{5}$ and LiV$_{2}$O$_{5}$. These ladder compounds do not only differ from the charge ordering pattern but also from the coupling between different ladders: In LiV$_{2}$O$_{5}$ one finds a strong inter-ladder hopping which is very small in NaV$_{2}$O$_{5}$. On the other hand, in NaV$_{2}$O$_{5}$ the ladders are coupled by a strong inter-ladder Coulomb interaction. The charge excitations of quasi one-dimensional cuprates reflect both the properties of the CuO$_{4}$ plaquettes and the character of the coupling between different plaquettes. Independently from the geometry of the cuprat chains, the local excitation of the copper hole onto the adjacent oxygen orbitals is always found. Further transitions with an excitation energy below the local excitation of a single plaquette result from a hole transfer to another plaquette. These excitations with hole delocalization dominate the spectra of the corner-shared Sr$_{2}$CuO$_{3}$. In contrast to this, the hole transfer leads only to a pre-peak in the spectra of the edge-shared CuGeO$_{3}$. Furthermore, it is shown that the hole transfer is determined by the geometry of the edge-shared CO. / Gegenstand dieser Arbeit ist die theoretische Analyse von Ladungsanregungen in verschiedenen niedrigdimensionalen 3d-Übergangsmetallverbindungen, wobei insbesondere der Einfluß der Gittergeometrie auf die Charakteristik der Anregungen untersucht wurde. Mit Hilfe des Lanczos-Algorithmus' wurden dazu sowohl die impulsabhängige Verlustfunktion der Elektron-Energie-Verlust-Spektroskopie (EELS) als auch die optische Leitfähigkeit für NaV$_{2}$O$_{5}$, LiV$_{2}$O$_{5}$, Sr$_{2}$CuO$_{3}$ und CuGeO$_{3}$ berechnet und mit den experimentellen Ergebnissen verglichen. Unter der Verwendung eines Modells viertelgefüllter Leitern kann man die Ladungsanregungen sowohl für NaV$_{2}$O$_{5}$ als auch LiV$_{2}$O$_{5}$ sehr gut beschreiben. In diesen Materialien findet man nicht nur unterschiedliche Ladungsordnungen sondern vor allem auch verschiedene Kopplungsarten zwischen den Leitern. Während die Leitern im NaV$_{2}$O$_{5}$ durch die Coulomb-Wechselwirkung miteinander gekoppelt sind, existiert im LiV$_{2}$O$_{5}$ ein Austausch aufgrund einer starken Hybridisierung zwischen den Leitern. Die Ladungsanregungen von quasi eindimensionalen Kupratketten spiegeln sowohl die Plaketteneigenschaften als auch die Plakettenkopplung wider. Unabhängig von der Geometrie der Ketten findet man stets die lokale Anregung des Kupferloches auf die umliegenden Sauerstofforbitale. Aus einem möglichen Lochtransfer zu benachbarten Plaketten resultieren außerdem noch Anregungen, die energetisch unterhalb der Plakettenanregung liegen und unmittelbar von der Kettengeometrie abhängen. Während im eckenvernetzten Sr$_{2}$CuO$_{3}$ diese Anregungen die Spektren dominieren, spielt der Lochtransfer im kantenvernetzten CuGeO$_{3}$ nur eine untergeordnete Rolle.

<p>We consider a system of few electrons trapped in a two-dimensional circularquantum dot with harmonic confinement and in the presence of ahomogeneous magnetic field, with focus on the role of e-e interaction. Byperforming the exact diagonalization of the Hamiltonian in second quantization,the low-lying energy levels for spin polarized system are obtained. The singlet-triplet oscillation in the ground state of the two-electron system showing up inthe result is explained due to the role of Coulomb interaction. The splitting ofthe lowest Landau level is another effect of the e-e interaction, which is alsoobserved in the results.</p>