@phdthesis{Bruenger2007, author = {Br{\"u}nger, Christian}, title = {Numerical Studies of Quantum Spin Systems}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-26439}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2007}, abstract = {Der erste Teil der Arbeit widmet sich der Untersuchung des Bilayer-Heisenberg-Modells und des zweidimensionalen Kondo-Necklace-Modells. Beide Modelle weisen einen Quantenphasen{\"u}bergang zwischen einer geordneten und einer ungeordneten Phase auf. In dieser Arbeit richtet sich das Interesse insbesondere auf die Kopplung der kritischen Fluktuationen an ein in das System eingebundenes Loch. Mittels eines selbstkonsistenten Born'schen N{\"a}herungsverfahrens wird gezeigt, dass das Loch mit den Magnonen derart wechselwirkt, dass dessen Quasiteilchengewicht am quantenkritischen Punkt verschwindet. Um diesen Aspekt weiter zu untersuchen, wird das Verhalten des Quasiteilchengewichts im Bereich der kritischen Kopplung auch mit Quanten-Monte-Carlo-Methoden analysiert. Desweiteren werden die dynamischen Eigenschaften des Loches im magnetischen Hintergrund untersucht. Im zweiten Teil dieser Arbeit gilt das Interesse der Untersuchung des Spiral-Staircase-Heisenberg-Modells. Dieses besteht aus zwei, zu einer Spinleiter ferromagnetisch gekopplten Spin-1/2-Ketten, wobei die antiferromagnetische Kopplung innerhalb der zweiten Kette durch Windung der Leiter variiert werden kann. Dieses Model eignet sich, den {\"U}bergang zwischen einer Spin-1/2-Kette ohne Spinl{\"u}cke und einer Spin-1-Kette mit Spinl{\"u}cke zu studieren. Besondere Beachtung ist dem {\"O}ffnen der Spinl{\"u}cke in Abh{\"a}ngigkeit der ferromagnetischen Kopplung zwischen den Leiterbeinen geboten. Es stellt sich heraus, dass das System, abh{\"a}ngig von der Leiterwindung, wesentliche Unterschiede im Skalierungsverhalten der Spinl{\"u}cke aufweist. Desweiteren wird mittels der String-Order-Parameter gezeigt, dass das Spiral-Staircase-Heisenberg-Modell trotz des unterschiedlichen Skalierungsverhaltens der Spinl{\"u}cke und unabh{\"a}ngig von der Wahl der Parameter sich stets in der Haldane-Phase befindet. Die Analyse der Modelle bedient sich haupts{\"a}chlich Quanten-Monte-Carlo-Methoden, aber auch exakter Diagonalisierungstechniken, sowie auf Molekularfeldn{\"a}herungen gest{\"u}tzten Rechnungen.}, subject = {Spinsystem}, language = {en} } @phdthesis{Bercx2014, author = {Bercx, Martin Helmut}, title = {Numerical studies of heavy-fermion systems and correlated topological insulators}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-116138}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2014}, abstract = {In this thesis, we investigate aspects of the physics of heavy-fermion systems and correlated topological insulators. We numerically solve the interacting Hamiltonians that model the physical systems using quantum Monte Carlo algorithms to access both ground-state and finite-temperature observables. Initially, we focus on the metamagnetic transition in the Kondo lattice model for heavy fermions. On the basis of the dynamical mean-field theory and the dynamical cluster approximation, our calculations point towards a continuous transition, where the signatures of metamagnetism are linked to a Lifshitz transition of heavy-fermion bands. In the second part of the thesis, we study various aspects of magnetic pi fluxes in the Kane-Mele-Hubbard model of a correlated topological insulator. We describe a numerical measurement of the topological index, based on the localized mid-gap states that are provided by pi flux insertions. Furthermore, we take advantage of the intrinsic spin degree of freedom of a pi flux to devise instances of interacting quantum spin systems. In the third part of the thesis, we introduce and characterize the Kane-Mele-Hubbard model on the pi flux honeycomb lattice. We place particular emphasis on the correlations effects along the one-dimensional boundary of the lattice and compare results from a bosonization study with finite-size quantum Monte Carlo simulations.}, subject = {Schwere-Fermionen-System}, language = {en} } @phdthesis{Hochkeppel2008, author = {Hochkeppel, Stephan}, title = {One- and Two-Particle Correlation Functions in the Dynamical Quantum Cluster Approach}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-28705}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2008}, abstract = {This thesis is dedicated to a theoretical study of the 1-band Hubbard model in the strong coupling limit. The investigation is based on the Dynamical Cluster Approximation (DCA) which systematically restores non-local corrections to the Dynamical Mean Field approximation (DMFA). The DCA is formulated in momentum space and is characterised by a patching of the Brillouin zone where momentum conservation is only recovered between two patches. The approximation works well if k-space correlation functions show a weak momentum dependence. In order to study the temperature and doping dependence of the spin- and charge excitation spectra, we explicitly extend the Dynamical Cluster Approximation to two-particle response functions. The full irreducible two-particle vertex with three momenta and frequencies is approximated by an effective vertex dependent on the momentum and frequency of the spin and/or charge excitations. The effective vertex is calculated by using the Quantum Monte Carlo method on the finite cluster whereas the analytical continuation of dynamical quantities is performed by a stochastic version of the maximum entropy method. A comparison with high temperature auxiliary field quantum Monte Carlo data serves as a benchmark for our approach to two-particle correlation functions. Our method can reproduce basic characteristics of the spin- and charge excitation spectrum. Near and beyond optimal doping, our results provide a consistent overall picture of the interplay between charge, spin and single-particle excitations: a collective spin mode emerges at optimal doping and sufficiently low temperatures in the spin response spectrum and exhibits the energy scale of the magnetic exchange interaction J. Simultaneously, the low energy single-particle excitations are characterised by a coherent quasiparticle with bandwidth J. The origin of the quasiparticle can be quite well understood in a picture of a more or less antiferromagnetic ordered background in which holes are dressed by spin-excitations to allow for a coherent motion. By increasing doping, all features which are linked to the spin-polaron vanish in the single-particle as well as two-particle spin response spectrum. In the second part of the thesis an analysis of superconductivity in the Hubbard model is presented. The superconducting instability is implemented within the Dynamical Cluster Approximation by essentially allowing U(1) symmetry breaking baths in the QMC calculations for the cluster. The superconducting transition temperature T_c is derived from the d-wave order parameter which is directly estimated on the Monte Carlo cluster. The critical temperature T_c is in astonishing agreement with the temperature scale estimated by the divergence of the pair-field susceptibility in the paramagnetic phase. A detailed study of the pseudo and superconducting gap is continued by the investigation of the local and angle-resolved spectral function.}, subject = {Festk{\"o}rpertheorie}, language = {en} } @phdthesis{Juergens2017, author = {J{\"u}rgens, Stefan}, title = {Correlated Topological Materials}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-152202}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2017}, abstract = {The topic of this PhD thesis is the combination of topologically non-trivial phases with correlation effects stemming from Coulomb interaction between the electrons in a condensed matter system. Emphasis is put on both emerging benefits as well as hindrances, e.g. concerning the topological protection in the presence of strong interactions. The physics related to topological effects is established in Sec. 2. Based on the topological band theory, we introduce topological materials including Chern insulators, topological insulators in two and three dimensions as well as Weyl semimetals. Formalisms for a controlled treatment of Coulomb correlations are presented in Sec. 3, starting with the topological field theory. The Random Phase Approximation is introduced as a perturbative approach, while in the strongly interacting limit the theory of quantum Hall ferromagnetism applies. Interactions in one dimension are special, and are treated through the Luttinger liquid description. The section ends with an overview of the expected benefits offered by the combination of topology and interactions, see Sec. 3.3. These ideas are then elaborated in the research part. In Chap. II, we consider weakly interacting 2D topological insulators, described by the Bernevig-Hughes-Zhang model. This is applicable, e.g., to quantum well structures made of HgTe/CdTe or InAs/GaSb. The bulk band structure is here a mixture stemming from linear Dirac and quadratic Schr{\"o}dinger fermions. We study the low-energy excitations in Random Phase Approximation, where a new interband plasmon emerges due to the combined Dirac and Schr{\"o}dinger physics, which is absent in the separate limits. Already present in the undoped limit, one finds it also at finite doping, where it competes with the usual intraband plasmon. The broken particle-hole symmetry in HgTe quantum wells allows for an effective separation of the two in the excitation spectrum for experimentally accessible parameters, in the right range for Raman or electron loss spectroscopy. The interacting bulk excitation spectrum shows here clear differences between the topologically trivial and topologically non-trivial regime. An even stronger signal in experiments is expected from the optical conductivity of the system. It thus offers a quantitative way to identify the topological phase of 2D topological insulators from a bulk measurement. In Chap. III, we study a strongly interacting system, forming an ordered, quantum Hall ferromagnetic state. The latter can arise also in weakly interacting materials with an applied strong magnetic field. Here, electrons form flat Landau levels, quenching the kinetic energy such that Coulomb interaction can be dominant. These systems define the class of quantum Hall topological insulators: topologically non-trivial states at finite magnetic field, where the counter-propagating edge states are protected by a symmetry (spatial or spin) other than time-reversal. Possible material realizations are 2D topological insulators like HgTe heterostructures and graphene. In our analysis, we focus on the vicinity of the topological phase transition, where the system is in a strongly interacting quantum Hall ferromagnetic state. The bulk and edge physics can be described by a nonlinear \sigma-model for the collective order parameter of the ordered state. We find that an emerging, continuous U(1) symmetry offers topological protection. If this U(1) symmetry is preserved, the topologically non-trivial phase persists in the presence of interactions, and we find a helical Luttinger liquid at the edge. The latter is highly tunable by the magnetic field, where the effective interaction strength varies from weakly interacting at zero field, K \approx 1, to diverging interaction strength at the phase transition, K -> 0. In the last Chap. IV, we investigate whether a Weyl semimetal and a 3D topological insulator phase can exist together at the same time, with a combined, hybrid surface state at the joint boundaries. An overlap between the two can be realized by Coulomb interaction or a spatial band overlap of the two systems. A tunnel coupling approach allows us to derive the hybrid surface state Hamiltonian analytically, enabling a detailed study of its dispersion relation. For spin-symmetric coupling, new Dirac nodes emerge out of the combination of a single Dirac node and a Fermi arc. Breaking the spin symmetry through the coupling, the dispersion relation is gapped and the former Dirac node gets spin-polarized. We propose experimental realizations of the hybrid physics, including compressively strained HgTe as well as heterostructures of topological insulator and Weyl semimetal materials, connected to each other, e.g., by Coulomb interaction.}, subject = {Topologie}, language = {en} }