This thesis investigates numerically the out of equilibrium properties of quantum rings with magnetic impurities, using the periodic Anderson model (PAM). The model is a simple template for the discussion of the physics of regular arrays of rare-earth impurities in metallic hosts. The system considered is a quantum ring consisting of up to six sites, each of whom are connected to an Anderson impurity site. The dynamical properties of this system are investigated numerically using exact diagonalization and Lanczos adapted time evolution. Two different schemes are used to perturb the system: a magnetic field piercing the ring and a local Zeeman interaction at one of the conduction sites. Comparisons are made with a ring without impurities, and it is shown that for very strong onsite interaction and/or very weak hybridization between the conduction sites and the impurity sites, the physics of a ring without impurities is recovered. Furthermore, a Doniach-type phase diagram in the presence of persistent currents, is provided where it is shown that the Kondo regime is reached for smaller values of the hybridization parameter when a magnetic field piercing the ring is present. The Doniach phase diagram is discussed in connection with persistent currents and entanglement. Preliminary results for the Zeeman field suggests a non trivial interplay between charge and spin currents, and RKKY and Kondo-like couplings.
This thesis investigates numerically the out of equilibrium properties of quantum rings with magnetic impurities, using the periodic Anderson model (PAM). The model is a simple template for the discussion of the physics of regular arrays of rare-earth impurities in metallic hosts. The system considered is a quantum ring consisting of up to six sites, each of whom are connected to an Anderson impurity site. The dynamical properties of this system are investigated numerically using exact diagonalization and Lanczos adapted time evolution. Two different schemes are used to perturb the system: a magnetic field piercing the ring and a local Zeeman interaction at one of the conduction sites. Comparisons are made with a ring without impurities, and it is shown that for very strong onsite interaction and/or very weak hybridization between the conduction sites and the impurity sites, the physics of a ring without impurities is recovered. Furthermore, a Doniach-type phase diagram in the presence of persistent currents, is provided where it is shown that the Kondo regime is reached for smaller values of the hybridization parameter when a magnetic field piercing the ring is present. The Doniach phase diagram is discussed in connection with persistent currents and entanglement. Preliminary results for the Zeeman field suggests a non trivial interplay between charge and spin currents, and RKKY and Kondo-like couplings.
An essential role for the description of correlated quantum many-particle systems is played by impurity problems. These consist of a small number of localized orbitals, where the electrons are subject to a Coulomb-interaction, coupled to noninteracting bath degrees of freedom. Impurity models are used for the description of magnetic impurities in metals, of quantum points in nanostructures, and in the context of the dynamical mean field theory (DMFT). For their solution a large number of numerical methods exists. We mention here quantum Monte Carlo methods, the numerical renormalization group, or the exact diagonalization method. In this thesis we introduce a new approach to impurity problems, which is based on the functional renormalization group (fRG). In contrast to the methods mentioned above this approach is approximative, but it can be applied with comparatively lower numerical effort. The aim of this thesis is to examine the advantages and limits of this method. An important role in this connection is played by the single impurity Anderson model (SIAM), which is already understood very well with other methods and is seen as a prototype for models with strong local correlations. The spin fluctuations of this model are governed by the so-called Kondo energy scale and a central question of this thesis is whether this scale can be reproduced with our approach. We begin with a short introduction to the Green's function formalism for correlated quantum many particle systems. Then the fRG flow equations for the one-particle irreducible vertex functions are deduced, and several approximation schemes are discussed. In chapter 4 we introduce the fRG scheme used in this thesis. At first the SIAM is mapped to a semi-infinite chain, in which the interacting orbital is given by the first site of this chain. The system is then subdivided into two parts. The first part, which is called 'core', consists of the interacting orbital and the first L bath sites. The remaining bath sites form the second part. At the beginning both parts are decoupled from each other such that the core can be solved exactly. Starting with this exact solution the coupling between the core and the remaining bath sites is switched on slowly in a renormalization group flow. This way it is possible to calculate the one-particle and two-particle correlation functions on the correlated site. We call this flow scheme 'hybridization flow'. The flow equations are formulated in an effective theory on the first bath site outside the core, which turns out to be advantageous compared to other implementations of the hybridization flow. In chapter 5 this hybridization flow method is applied to the SIAM with semi-elliptic bath density of states. We discuss the differences which arise for different core-sizes (L = 0,1,2,3) and for different truncations of the fRG flow equations. In the cases L=0 and L=2 the local Fermi liquid properties of the SIAM and the associated Kondo scale can not be reproduced in both approximation schemes. For the core sizes L=1 and L=3 the ground state of the core is already a spin singlet state in the beginning of the flow and the Fermi liquid properties are reproduced. The Kondo energy scale, which determines the width of the central quasi-particle peak and the size of the local spin-susceptibility, is however not accurately resolved. This is partly due to the finite temperature used in our implementation such that for larger interaction strength the temperature is above the Kondo energy scale. The application of the hybridization flow method to quantum impurity problems in the context of the DMFT is discussed in chapter 6. In this approach lattice models with a local interaction, like the Hubbard model, are mapped to an effective impurity problem for a single lattice site embedded in a dynamical mean field representing the influence of the other electrons. This scheme is exact in infinitely many dimensions and a nonperturbative approximation method for finite-dimensional systems. In particular the Mott metal-insulator transition in the Hubbard model is successfully described by this method. One class of quantities, which is easily accessible from the hybridization flow scheme, is given by the local two-particle correlation functions. These play an essential role in non-local extensions of the DMFT. Therefore we mainly focus on these quantities. At first we apply our flow scheme to the Hubbard model on the Bethe lattice in infinite dimensions and calculate the local one-particle irreducible vertex functions in the insulating and the metallic phase in good agreement with previous calculations, which use the exact diagonalization method as impurity solver. After this we extend our flow scheme to a cluster DMFT method, which includes short-range antiferromagnetic correlations and calculate again the local and non-local vertex functions for the two-dimensional Hubbard model. We compare these to the results of the single-site DMFT.
In this thesis we study the physical properties of quantum magnetic impurities in con- densed matter systems. More precisely, we are interested in the quantum many-body phenomena emerging in metallic quantum wires with spin-orbit coupling (SOC) in the presence of magnetic impurities. In particular, we investigate Kondo effect in topological superconducting quantum wires sustaining Majorana zero modes (MZMs) bound to their edges. The first part of this work is dedicated to a general digression on the formation of localized magnetic moments in solid state materials and the emergence of the Kondo effect in single-impurity systems. We further study a system composed by a single level quantum dot coupled to a metallic reservoir and to two MZMs with opposite polarizations. The system is described by a version of single impurity Anderson model (SIAM) adapted to account for the MZMs. To access the Kondo physics we used the projection approach to derive an effective Kondo-like Hamiltonian from the SIAM. We show the coexistence of the many-body Kondo singlet and a local Majorana singlet which results from the robustness of the Kondo fixed points even in the presence local Majorana operators. Moreover, we show that the free MZMs of the system are responsible for the impurity residual entropy S res = N/ 2 k B ln(2), where N is the number of free MZMs. This result reveals a fractional residual entropy for an odd number of free MZMs associated with a local non-Fermi liquid behavior. Both results were confirmed by the perturbative Anderson’s Poor Man’s scaling (PMS), and the nonperturbative Wilson’s numerical renormalization group (NRG). The second part of the thesis is dedicated to the low-temperature physics of two-impurity systems. We revisit the well known Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction between two spatially separated magnetic impurities in a quantum wire with SOC. To compute the RKKY coupling we use the original Ruderman-Kittel approach, based on the traditional second-order perturbation theory. This allows us find also the Dzaloshinskii-Moriya and Ising interactions between the impurities, both originated from the SOC. Our results show that due to momentum-spin-lock, provided by the SOC, the RKKY coupling does not decay with the inverse of the inter-impurities distance, as in the usual case. Instead, the coupling survives even at large distances oscillating with a characteristic wave-vector 2k R, where k R is proportional to the Rashba SOC.
Recent interest in the fundamental physics of the Kondo effect has been driven by the observation of Kondo physics in mesoscopic systems such as quantum dots [1, 2] and carbon nanotubes [3], which can act analogously to magnetic impurities in a bulk metal. Highly tunable mesoscopic systems such as these present the possibility of observing the controversial Kondo length scale εK associated with the cloud of conduction electrons that screen the spin of the impurity [4]. This plays a similar role in scaling theories as the Kondo temperature Tk. One proposal [5] for detecting this length scale is to measure the finite-size dependence of persistent currents in an isolated conducting ring coupled to a quantum dot. The screening cloud should be 'trapped' in the closed system, and will not form if the size of the ring L is much smaller than εK. In particular, the current in the Kondo regime should be a universal scaling function j = L^-1 f(Φ, L/εK, T/Tk) (here Φ is the applied flux) [6, 7]. Considerable disagreement has arisen in the theoretical estimates of these persistent currents as different analytical treatments yield contradictory predictions [6, 8, 9, 10]. This thesis presents a new Quantum Monte Carlo (QMC) technique for measuring persistent currents in such systems, based on the Hirsch-Fye Impurity QMC algorithm [11] which is ideally suited to treating systems with a single impurity such as the quantum dot. The algorithm provides exact numerical results at finite temperatures. The complexity of the algorithm does not scale directly with the size of the system, making it particularly attractive for investigating a wide range of system sizes.
To analyze the physical properties arising from indirect magnetic exchange between several magnetic adatoms and between complex magnetic nanostructures on metallic surfaces, the real-space extension of dynamical mean-field theory (R-DMFT) appears attractive as it can be applied to systems of almost arbitrary geometry and complexity. While R-DMFT describes the Kondo effect of a single adatom exactly, indirect magnetic (RKKY) exchange is taken into account on an approximate level only. Here, we consider a simplified model system consisting of two magnetic Hubbard sites (``adatoms'') hybridizing with a noninteracting tight-binding chain (``substrate surface''). This two-impurity Anderson model incorporates the competition between the Kondo effect and indirect exchange but is amenable to an exact numerical solution via the density-matrix renormalization group (DMRG). The particle-hole symmetric model at half filling and zero temperature is used to benchmark R-DMFT results for the magnetic coupling between the two adatoms and for the magnetic properties induced in the substrate. In particular, the dependence of the local adatom and the nonlocal adatom-adatom static susceptibilities as well as the magnetic response of the substrate on the distance between the adatoms and on the strength of their coupling with the substrate is studied. We find excellent agreement with the DMRG data even on subtle details of the competition between RKKY exchange and the Kondo effect but also complete failure of the R-DMFT, depending on the parameter regime considered. R-DMFT calculations are performed using the Lanczos method as impurity solver. With the real-space extension of the two-site DMFT, we also benchmark a simplified R-DMFT variant.
The goal of this book is the investigation of physical effects at low energies caused by magnetic impurity adatoms, coupled to a small non-magnetic metallic substrate surface. Such systems can be understood with help of multi-impurity Kondo models, describing the substrate as a tight-binding model of finite-size and the impurities as quantum spins, which are antiferromagnetically coupled locally to their respective substrate sites. Focusing on one-dimensional finite-size systems with open boundary conditions at half-filling numerical exact diagonalisation and the variation of matrix product states (VMPS) method are used for the investigation. It is the aim to study finite-size effects in different regimes of the magnetic exchange interaction. For example due to the finite size of the system, the interplay of the Kondo effect and the indirect magnetic Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interaction between impurity spins is site dependent and non-trivial for at least three impurity Kondo systems. Furthermore evidence for an unconventional and novel magnetic coupling mechanism, causing magnetic order in the actually non-magnetic substrate, due to inverse indirect magnetic exchange, will be given.
We study the non-equilibrium dynamics of a spinful single-orbital quantum dot with an incorporated quantum mechanical spin-1/2 magnetic impurity. Due to the spin degeneracy, double occupancy is allowed, and Coulomb interaction together with the exchange coupling of the magnetic impurity influence the dynamics. By extending the iterative summation of real-time path integrals (ISPI) to this coupled system, we monitor the time-dependent non-equilibrium current and the impurity spin polarization to determine features of the time-dependent non-equilibrium dynamics. We particulary focus on the deep quantum regime, where all time and energy scales are of the same order of magnitude and no small parameter is available. We observe a significant influence of the non-equilibrium decay of the impurity spin polarization both in the presence and in the absence of Coulomb interaction. The exponential relaxation is faster for larger bias voltages, electron–impurity interactions and temperatures. We show that the exact relaxation rate deviates from the corresponding perturbative result. In addition, we study in detail the impurity's back action on the charge current and find a reduction of the stationary current for increasing coupling to the impurity. Moreover, our approach allows us to systematically distinguish mean-field Coulomb and impurity effects from the influence of quantum fluctuations and flip-flop scattering, respectively. In fact, we find a local maximum of the current for a finite Coulomb interaction due to the presence of the impurity.