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Applications of the density matrix renormalization group to mesoscopic phenomena

Dominique Gobert, Ulrich Schollwöck

Published Jan 1, 2005• 1 citation
OpenAlex

Abstract

In this thesis, I analyze properties of mesoscopic systems that exhibit strong quantum correlations. To this purpose, I adapt and use the density-matrix renormalization group (DMRG), a numerical method that has been developed specifically for analyzing such systems. The following systems are discussed: - Josephson effect between superconducting nanograins: I investigate the Josephson effect, i.e. the dependence of the energy of two weakly coupled superconductors on the difference between their superconducting phase, in the regime that the level spacing d is comparable to the bulk superconducting gap Delta. Because the BCS solution is inapplicable in this regime, I use the DMRG to calculate the ground state of the two coupled superconductors and extract the Josephson energy E_J. The standard BCS result for E_J is reproduced only in the continuum limit of vanishing d. As d is increased, however, E_J turns out to display a nonmonotonic behaviour. A tight-binding approximation for weak Josephson coupling explains the physical mechanism underlying this reentrance in a transparent way. - Well-defined quasiparticles in small metallic grains: I analyze zero-temperature spectral functions of mesoscopic systems such as quantum dots and metallic grains, in the limit of large conductance, where they can be described by a "universal Hamiltonian" model. I show that within this model, an important class of spectral functions is dominated by one single energy eigenstate only. For an interacting system this is a very peculiar property, which implies an infinite lifetime of the quasiparticles. Moreover, I show that the dominating eigenstate contains only a limited subclass of all excitations, which I characterize as the "No-Gaudino" excitations. Hence, these are sufficient to explain many of the properties of the systems under consideration. Besides its own physical significance, the dominance of the "No-Gaudino" states has also high practical value, because it permits the calculation of zero-temperature spectral functions with high accuracy using the DMRG. I illustrate the use of this method by calculating the tunneling density of states of metallic grains and the magnetic response of mesoscopic rings. - Real-time dynamics in spin-1/2 chains I study the nonequilibrium transport properties in spin-1/2 chains by solving the time evolution of a non-stationary initial state, and investigate the influence of different interaction strength and dimerization on the magnetization transport. To this purpose, I use the "adaptive time-dependent DMRG", a DMRG variant that was recently developed to solve the many-body Schroedinger equation with high accuracy. I find that the magnetization possesses a well-defined long-time limit, whose nature does not depend on the dimerization, but only on the strength J_z of the S^z-S^z-interaction: For |J_z| < 1 I find ballistic magnetization transport, and for J_z >1 almost no transport, with a sharp crossover at |J^z|=1. I explain this crossover as a subtle consequence of a quantum phase transition which occurs at the precise value J_z| = 1. - Many-body scattering states: I present a general method for calculating many-body scattering states that does not rely on the assumptions of perturbation theory or near-equilibrium. Due to the complexity of the problem, I limit the discussion to a description of the algorithm itself and a few proof-of-principle calculations only. The strategy is to calculate the many-body scattering state that results when a scatterer (e.g. a quantum dot) is connected to two leads, to which a voltage bias V is applied. This state is obtained by solving the many-body Lippmann-Schwinger equation using the DMRG.

Related papers

The adaptive time-dependent density matrix renormalization group method : development and applications

Corinna Kollath, Ulrich Schollwöck

In this work we develop a new numerical method, the adaptive time-dependent density-matrix renormalization-group (adaptive t-DMRG), which turns out to be very well suited to investigate time-dependent phenomena in one-dimensional strongly correlated systems. The method is based on the original density-matrix renormalization group method by White and the time evolving block-decimation procedure by Vidal. We further show the applicability of the new method to different physical systems: bosonic, fermionic, and spin chains. We first discuss the consequences of the presence of an external trapping potential on the static properties of trapped cold bosonic atoms in an optical lattice using the Bose-Hubbard model. It is shown that a properly rescaled one-particle density matrix characterizes superfluid versus insulating states just as in the homogeneous system. We note that the superfluid to Mott-insulating transition is seen most directly in the half width of the interference peak. Then we turn to the evolution of density perturbations in these systems. In particular, we discuss the dependence of the velocity and the decay of the amplitude on density, interaction strength, and the extent and height of the perturbation in a numerically exact way, covering a wide range of interaction and perturbation strengths. By comparing our results for the sound velocity to theoretical predictions, we determine the limits of a Gross-Pitaevskii or Bogoliubov type description and the regime where repulsive one-dimensional Bose gases exhibit fermionic behaviour. As a second application of the adaptive t-DMRG, we investigate the phenomenon of spin-charge separation in the Hubbard model and propose an experimental setup for its observation in cold Fermi gases. We show the robustness of this separation beyond the low-energy regime by studying the time evolution of density wave packets of finite strength and at length scales down to a few lattice spacings. A striking signature of spin-charge separation is found in 1D cold Fermi gases in a harmonic trap using the different propagation properties of the liquid and Mott-insulating phases. The third application relates to the area of spintronics. A simplified model for the magnetization transport between two coupled reservoirs with opposite spin polarization is studied. We investigate whether a simple long time limit for the spin transport exists and if so, how it depends on the properties of the system such as integrability and criticality. Time-scales accessible to us are of the order of 100 units of time measured in 1/J while maintaining insignificant error in the observables.

•Jan 1, 2005•0 citations

Adaptive time-dependent density-matrix renormalization-group technique for calculating the conductance of strongly correlated nanostructures

K. A. Al-Hassanieh, Adrian E. Feiguin, José A. Riera +2 more

A procedure based on the recently developed ``adaptive'' time-dependent density-matrix-renormalization-group (DMRG) technique is presented to calculate the zero temperature conductance of nanostructures, such as quantum dots (QDs) or molecular conductors, when represented by a small number of active levels. The leads are modeled using noninteracting tight-binding Hamiltonians. The ground state at time zero is calculated at zero bias. Then, a small bias is applied between the two leads, the wave function is DMRG evolved in time, and currents are measured as a function of time. Typically, the current is expected to present periodicities over long times, involving intermediate well-defined plateaus that resemble steady states. The conductance can be obtained from those steady-state-like currents. To test this approach, several cases of interacting and noninteracting systems have been studied. Our results show excellent agreement with exact results in the noninteracting case. More importantly, the technique also reproduces quantitatively well-established results for the conductance and local density of states in both the cases of one and two coupled interacting QDs. The technique also works at finite bias voltages, and it can be extended to include interactions in the leads.

arXiv:cond-mat/0601411•Physical Review B•May 3, 2006•87 citations

Strongly Correlated Models in One Dimension from a Density Matrix Renormalization Group Perspective

Stefan Rommer

The density matrix renormalization group (DMRG) is a numerical method for studying low dimensional strongly correlated models. The study of these models is one of the most active areas of condensed matter physics today and has been spurred not only by the discovery of high temperature superconductivity but also by experiments on new compounds. In this thesis we study fundamentals of the density matrix renormalization group method as well as applications of the method to Heisenberg spin chains. The introductory text is meant as a brief overview of the DMRG as well as Heisenberg spin systems and provides an introduction to the papers. In papers I and II we investigate the density matrix renormalization group with the aim to better understand the underlying structure of the method. We find that if the renormalization converges to a fixed point in the thermodynamic limit, the resulting basis states can be written as a matrix product form. We also show an explicit relation of the DMRG to variational calculations using the fact that the matrix product states can be rederived through a variational ansatz without any reference to the DMRG calculation. It is then shown how the matrix product states can be used to define a set of Bloch waves for describing elementary excitations of the Heisenberg spin-1 chain. The low lying energy spectrum is calculated. In papers III and IV we investigate the thermodynamics of impurities in a spin-1/2 chain. For this purpose we have shown that a recently developed transfer matrix DMRG method can be used to calculate impurity properties. Both impurity corrections to thermodynamic properties and local properties at finite temperature can be obtained. The method gives quicker and more accurate results than quantum Monte Carlo. The numerical results show good agreement with field theory calculations for a number of impurity configurations and the cross-over function for the magnetic susceptibility from high- to low-temperature behavior shows the expected data collapse. Our results also give quantitative predictions for experiments on doped spin-1/2 chains.

•Jan 1, 1998•0 citations

Numerical Renormalization, Doped Antiferromagnets, and Statistics - Topics in Low Dimensional Physics

Martin Andersson

The first part of the thesis deals with so called numerical renormalization group methods, and in particular the density-matrix renormalization group (DMRG). This method performs extremely well for large one-dimensional quantum systems like spin-chains and Hubbard models. We discuss general features of the quantum states obtained by using this method for large systems. One finds that the method works better, i.e. faster convergence and higher accuracy, when applied to systems having an energy gap between the ground state and the first excited state. An investigation of the behavior of the DMRG for a simple gapless system is done, mainly focusing on the properties of correlation functions. The second part of the thesis deals with topics related to superconductivity. It starts with a discussion of magnetic Josephson junctions and the physical processes governing the behavior of such a system. We also introduce and discuss models of high-temperature superconductors, in particular the t-J model and its relation to stripes. Starting from the t-J model on a two dimensional square lattice, we discuss an approximation where the spin-configuration is assumed static. We discuss the properties of the fictitious magnetic field experienced by the electrons due to the static spin-configuration. Configurations being close to ferromagnetic and antiferromagnetic turn out to have very different properties. Furthermore, we derive an effective model for this system and look for different phases of this model. In particular we investigate whether the system takes advantage of a spin-generated fictitious flux. Uniform phases are discussed in a Hartree-Fock approximation and we also consider stripes between antiferromagnetically ordered regions, these being modeled in a self-consistent Hartree approximation. Finally, and inspired by the fictitious fluxes, there is a chapter discussing the statistics of particles living on a circle. It is shown that there are two free parameters in the quantization of such a system and we also sort out the relation between fermions and hard-core bosons in one dimension.

•Jan 1, 2001•1 citation

Functional renormalization group studies of quantum transport through mesoscopic systems

Severin G. Jakobs, Herbert Schoeller

The progress in micro-fabrication technologies makes it possible to address individual, tailored, mesoscopic structures with sizes on a nanometer to micrometer scale. The transport properties of such quasi zero- or one-dimensional systems are considerably influenced by the electron-electron interaction. In theoretical studies this often becomes apparent in the emergence of divergences in a perturbative treatment of the interaction. A successful approach may then be given by renormalization group (RG) methods which are based on the idea of treating energy scales successively from high to low. In the functional RG (fRG) an exact infinite hierarchy of flow equations for multi-particle Green or vertex functions is derived, that allows for systematic approximations on different levels. In numerous studies the fRG has been found to be a powerful tool for the investigation of low dimensional Fermi systems. Usually it is formulated within Matsubara formalism which applies to a system in thermal equilibrium. A central topic of this thesis is the implementation of the fRG within Keldysh formalism, providing the possibility to treat equilibrium and non-equilibrium situations on equal footing. The resulting Keldysh fRG is used in this thesis to explore the transport properties of quantum wires with several barriers and of the single impurity Anderson model. The thesis starts with an introduction to Keldysh formalism and to related concepts. Then the structure of the Green and vertex functions of Keldysh formalism is investigated. This includes studying the consequences of causality, characterizing thermal equilibrium, and formulating corresponding relations for the multi-particle functions. After that, the implementation of the fRG within Keldysh formalism is presented in detail. The flow equations for the vertex functions are derived via their diagrammatic expansion. Two especially useful flow parameters are determined: one of them cuts off the imaginary frequencies that appear as poles of the Fermi functions of the reservoirs. The second flow parameter is an artificially enhanced reservoir hybridization; on one hand it has the advantage to preserve the fluctuation dissipation theorem in equilibrium even in frequency dependent approximations; on the other hand, its use can be more cumbersome. One of the models studied in this thesis is a tight-binding chain with nearest-neighbour interaction. At weak and intermediate interactions it belongs to the class of Luttinger liquids (LLs) whose low energy properties are characterized by power laws. The transport properties of LLs have been studied experimentally for example on carbon nanotubes. However, the presence of transport barriers at the contacts make the interpretation of the experimental data difficult. A theoretical treatment with the fRG permits a rather large flexibility to model the barrier configuration. In this thesis the fRG is first used in its equilibrium Matsubara implementation in order to analyse the temperature dependence of the linear conductance in the presence of two, three or four barriers. It is shown that temperature induces an averaging over quantum phases of propagation, leading to combinations of the power law exponents of the individual barriers. An experimental set-up that allows to verify this behaviour is proposed. In a second step the Keldysh version of the fRG is applied to the problem of transport through a quantum wire at finite bias voltage. For a wire with two high contact barriers it is found that the non-equilibrium particle distribution in the wire is responsible for the appearance of a two-fold power law in the density of states. An additional weakly attached probe lead can be used to make the two different power laws visible in the conductance. The second model which is analysed is the one of the single Anderson impurity, often considered as a paradigm for the investigation of strong local electron correlations. The latter become noticeable in the appearance of the Kondo scale, an energy exponentially small in the interaction strength, that characterizes the low energy physics of the model in the regime of spin fluctuations. On the basis of this model an advanced frequency dependent approximation for the Keldysh fRG is developed in this thesis. Such an approximation can account for subleading effects of the interaction, namely the fact that two-particle interactions can generate decay rates for single-particle states. The derivation of a consistent approximation scheme is presented, that turns out to yield a good description of the model at moderate interaction strength.

•Jan 1, 2010•7 citations

Transfermatrix-DMRG for dynamics of stochastic models and thermodynamics of fermionic models

Andreas Kemper

The present work applies a numerical method, namely the transfer-matrix density-matrix renormalization group (TMRG), to two seemingly different types of models. In a first part the TMRG is used to investigate the thermodynamics of one-dimensional fermionic models. A second part deals with a novel TMRG method for one-dimensional stochastic models, whose development is an integral part of the thesis. First, the traditional TMRG algorithm for quantum systems is outlined in its historical context. Two different variants are presented, following works of Xiang et al. and Sirker and Klümper, respectively. The basic idea of the method is to map the thermodynamics of a one-dimensional quantum model by Trotter-Suzuki decomposition onto a two-dimensional statistical one. The latter is then solved by a transfer-matrix approach combined with the iterative numerical procedure of White's density-matrix renormalization-group (DMRG) algorithm. Thereby precise computations of various thermodynamic properties, such as thermodynamic potentials, susceptibilities, thermal expectation values and correlation functions are possible. As the first part of the thesis deals with fermionic models, we next review some basics about the theory of strongly correlated fermions in one dimension. Thereupon we elucidate the so-called Hirsch model, which recently gained a lot of theoretic interest in respect to high-temperature superconductivity. It extends the well-studied Hubbard model by an off-diagonal bond-charge interaction term. The current state of research is briefly summarized and mainly refers to ground state properties. Showing numerical TMRG results we then investigate and discuss the almost unknown thermodynamics of the Hirsch model. Various phases are identified and characterized in terms of Tomonaga-Luttinger and Luther-Emery liquid properties, in accordance with previous studies of the ground state. As an important result, superconducting singlet-pair correlation lenths are observed to dominate the physics at finite temperatures in a certain spin-gaped phase. Subsequent to our thermodynamic studies, we turn to the second part of the thesis and outline some theoretic basics of stochastic models. Most notably is the important formal analogy of the master equation, that describes the dynamics of the model, to a Schrödinger equation in imaginary time. This analogy is used to construct a stochastic TMRG algorithm almost similar to the quantum case, that facilitates the computation of dynamic properties, e.g. the local density of particles. We intensively focus on interesting mathematical properties of the stochastic transfer-matrix. As an astonishing result it is found, that the temporal evolution of the non-equilibrium process is reflected by a certain causal structure of the stochastic TMRG. But even if this new approach seems to be promising at first glance, severe numerical problems limit significantly its practical use. In order to solve these instabilities we propose a completely new variant of the algorithm, which we call stochastic light-cone corner-transfermatrix DMRG (LCTMRG). As suggested by its name, the LCTMRG makes use of the causal structure mentioned above and combines it with the stochastic TMRG algorithm. Applications of the LCTMRG onto various reaction-diffusion models verify highly precise numerical data and a great improve compared to the old algorithm by several orders of magnitude. Additionally it is stressed, that the newly proposed analysis tool provides some considerable advantages to common simulation techniques.

•Jan 1, 2003•1 citation
In this thesis, I analyze properties of mesoscopic systems that exhibit strong quantum correlations. To this purpose, I adapt and use the density-matrix renormalization group (DMRG), a numerical method that has been developed specifically for analyzing such systems. The following systems are discussed: - Josephson effect between superconducting nanograins: I investigate the Josephson effect, i.e. the dependence of the energy of two weakly coupled superconductors on the difference between their superconducting phase, in the regime that the level spacing d is comparable to the bulk superconducting gap Delta. Because the BCS solution is inapplicable in this regime, I use the DMRG to calculate the ground state of the two coupled superconductors and extract the Josephson energy E_J. The standard BCS result for E_J is reproduced only in the continuum limit of vanishing d. As d is increased, however, E_J turns out to display a nonmonotonic behaviour. A tight-binding approximation for weak Josephson coupling explains the physical mechanism underlying this reentrance in a transparent way. - Well-defined quasiparticles in small metallic grains: I analyze zero-temperature spectral functions of mesoscopic systems such as quantum dots and metallic grains, in the limit of large conductance, where they can be described by a "universal Hamiltonian" model. I show that within this model, an important class of spectral functions is dominated by one single energy eigenstate only. For an interacting system this is a very peculiar property, which implies an infinite lifetime of the quasiparticles. Moreover, I show that the dominating eigenstate contains only a limited subclass of all excitations, which I characterize as the "No-Gaudino" excitations. Hence, these are sufficient to explain many of the properties of the systems under consideration. Besides its own physical significance, the dominance of the "No-Gaudino" states has also high practical value, because it permits the calculation of zero-temperature spectral functions with high accuracy using the DMRG. I illustrate the use of this method by calculating the tunneling density of states of metallic grains and the magnetic response of mesoscopic rings. - Real-time dynamics in spin-1/2 chains I study the nonequilibrium transport properties in spin-1/2 chains by solving the time evolution of a non-stationary initial state, and investigate the influence of different interaction strength and dimerization on the magnetization transport. To this purpose, I use the "adaptive time-dependent DMRG", a DMRG variant that was recently developed to solve the many-body Schroedinger equation with high accuracy. I find that the magnetization possesses a well-defined long-time limit, whose nature does not depend on the dimerization, but only on the strength J_z of the S^z-S^z-interaction: For |J_z| < 1 I find ballistic magnetization transport, and for J_z >1 almost no transport, with a sharp crossover at |J^z|=1. I explain this crossover as a subtle consequence of a quantum phase transition which occurs at the precise value J_z| = 1. - Many-body scattering states: I present a general method for calculating many-body scattering states that does not rely on the assumptions of perturbation theory or near-equilibrium. Due to the complexity of the problem, I limit the discussion to a description of the algorithm itself and a few proof-of-principle calculations only. The strategy is to calculate the many-body scattering state that results when a scatterer (e.g. a quantum dot) is connected to two leads, to which a voltage bias V is applied. This state is obtained by solving the many-body Lippmann-Schwinger equation using the DMRG.
In this work we develop a new numerical method, the adaptive time-dependent density-matrix renormalization-group (adaptive t-DMRG), which turns out to be very well suited to investigate time-dependent phenomena in one-dimensional strongly correlated systems. The method is based on the original density-matrix renormalization group method by White and the time evolving block-decimation procedure by Vidal. We further show the applicability of the new method to different physical systems: bosonic, fermionic, and spin chains. We first discuss the consequences of the presence of an external trapping potential on the static properties of trapped cold bosonic atoms in an optical lattice using the Bose-Hubbard model. It is shown that a properly rescaled one-particle density matrix characterizes superfluid versus insulating states just as in the homogeneous system. We note that the superfluid to Mott-insulating transition is seen most directly in the half width of the interference peak. Then we turn to the evolution of density perturbations in these systems. In particular, we discuss the dependence of the velocity and the decay of the amplitude on density, interaction strength, and the extent and height of the perturbation in a numerically exact way, covering a wide range of interaction and perturbation strengths. By comparing our results for the sound velocity to theoretical predictions, we determine the limits of a Gross-Pitaevskii or Bogoliubov type description and the regime where repulsive one-dimensional Bose gases exhibit fermionic behaviour. As a second application of the adaptive t-DMRG, we investigate the phenomenon of spin-charge separation in the Hubbard model and propose an experimental setup for its observation in cold Fermi gases. We show the robustness of this separation beyond the low-energy regime by studying the time evolution of density wave packets of finite strength and at length scales down to a few lattice spacings. A striking signature of spin-charge separation is found in 1D cold Fermi gases in a harmonic trap using the different propagation properties of the liquid and Mott-insulating phases. The third application relates to the area of spintronics. A simplified model for the magnetization transport between two coupled reservoirs with opposite spin polarization is studied. We investigate whether a simple long time limit for the spin transport exists and if so, how it depends on the properties of the system such as integrability and criticality. Time-scales accessible to us are of the order of 100 units of time measured in 1/J while maintaining insignificant error in the observables.
A procedure based on the recently developed ``adaptive'' time-dependent density-matrix-renormalization-group (DMRG) technique is presented to calculate the zero temperature conductance of nanostructures, such as quantum dots (QDs) or molecular conductors, when represented by a small number of active levels. The leads are modeled using noninteracting tight-binding Hamiltonians. The ground state at time zero is calculated at zero bias. Then, a small bias is applied between the two leads, the wave function is DMRG evolved in time, and currents are measured as a function of time. Typically, the current is expected to present periodicities over long times, involving intermediate well-defined plateaus that resemble steady states. The conductance can be obtained from those steady-state-like currents. To test this approach, several cases of interacting and noninteracting systems have been studied. Our results show excellent agreement with exact results in the noninteracting case. More importantly, the technique also reproduces quantitatively well-established results for the conductance and local density of states in both the cases of one and two coupled interacting QDs. The technique also works at finite bias voltages, and it can be extended to include interactions in the leads.
The density matrix renormalization group (DMRG) is a numerical method for studying low dimensional strongly correlated models. The study of these models is one of the most active areas of condensed matter physics today and has been spurred not only by the discovery of high temperature superconductivity but also by experiments on new compounds. In this thesis we study fundamentals of the density matrix renormalization group method as well as applications of the method to Heisenberg spin chains. The introductory text is meant as a brief overview of the DMRG as well as Heisenberg spin systems and provides an introduction to the papers. In papers I and II we investigate the density matrix renormalization group with the aim to better understand the underlying structure of the method. We find that if the renormalization converges to a fixed point in the thermodynamic limit, the resulting basis states can be written as a matrix product form. We also show an explicit relation of the DMRG to variational calculations using the fact that the matrix product states can be rederived through a variational ansatz without any reference to the DMRG calculation. It is then shown how the matrix product states can be used to define a set of Bloch waves for describing elementary excitations of the Heisenberg spin-1 chain. The low lying energy spectrum is calculated. In papers III and IV we investigate the thermodynamics of impurities in a spin-1/2 chain. For this purpose we have shown that a recently developed transfer matrix DMRG method can be used to calculate impurity properties. Both impurity corrections to thermodynamic properties and local properties at finite temperature can be obtained. The method gives quicker and more accurate results than quantum Monte Carlo. The numerical results show good agreement with field theory calculations for a number of impurity configurations and the cross-over function for the magnetic susceptibility from high- to low-temperature behavior shows the expected data collapse. Our results also give quantitative predictions for experiments on doped spin-1/2 chains.
The first part of the thesis deals with so called numerical renormalization group methods, and in particular the density-matrix renormalization group (DMRG). This method performs extremely well for large one-dimensional quantum systems like spin-chains and Hubbard models. We discuss general features of the quantum states obtained by using this method for large systems. One finds that the method works better, i.e. faster convergence and higher accuracy, when applied to systems having an energy gap between the ground state and the first excited state. An investigation of the behavior of the DMRG for a simple gapless system is done, mainly focusing on the properties of correlation functions. The second part of the thesis deals with topics related to superconductivity. It starts with a discussion of magnetic Josephson junctions and the physical processes governing the behavior of such a system. We also introduce and discuss models of high-temperature superconductors, in particular the t-J model and its relation to stripes. Starting from the t-J model on a two dimensional square lattice, we discuss an approximation where the spin-configuration is assumed static. We discuss the properties of the fictitious magnetic field experienced by the electrons due to the static spin-configuration. Configurations being close to ferromagnetic and antiferromagnetic turn out to have very different properties. Furthermore, we derive an effective model for this system and look for different phases of this model. In particular we investigate whether the system takes advantage of a spin-generated fictitious flux. Uniform phases are discussed in a Hartree-Fock approximation and we also consider stripes between antiferromagnetically ordered regions, these being modeled in a self-consistent Hartree approximation. Finally, and inspired by the fictitious fluxes, there is a chapter discussing the statistics of particles living on a circle. It is shown that there are two free parameters in the quantization of such a system and we also sort out the relation between fermions and hard-core bosons in one dimension.
The progress in micro-fabrication technologies makes it possible to address individual, tailored, mesoscopic structures with sizes on a nanometer to micrometer scale. The transport properties of such quasi zero- or one-dimensional systems are considerably influenced by the electron-electron interaction. In theoretical studies this often becomes apparent in the emergence of divergences in a perturbative treatment of the interaction. A successful approach may then be given by renormalization group (RG) methods which are based on the idea of treating energy scales successively from high to low. In the functional RG (fRG) an exact infinite hierarchy of flow equations for multi-particle Green or vertex functions is derived, that allows for systematic approximations on different levels. In numerous studies the fRG has been found to be a powerful tool for the investigation of low dimensional Fermi systems. Usually it is formulated within Matsubara formalism which applies to a system in thermal equilibrium. A central topic of this thesis is the implementation of the fRG within Keldysh formalism, providing the possibility to treat equilibrium and non-equilibrium situations on equal footing. The resulting Keldysh fRG is used in this thesis to explore the transport properties of quantum wires with several barriers and of the single impurity Anderson model. The thesis starts with an introduction to Keldysh formalism and to related concepts. Then the structure of the Green and vertex functions of Keldysh formalism is investigated. This includes studying the consequences of causality, characterizing thermal equilibrium, and formulating corresponding relations for the multi-particle functions. After that, the implementation of the fRG within Keldysh formalism is presented in detail. The flow equations for the vertex functions are derived via their diagrammatic expansion. Two especially useful flow parameters are determined: one of them cuts off the imaginary frequencies that appear as poles of the Fermi functions of the reservoirs. The second flow parameter is an artificially enhanced reservoir hybridization; on one hand it has the advantage to preserve the fluctuation dissipation theorem in equilibrium even in frequency dependent approximations; on the other hand, its use can be more cumbersome. One of the models studied in this thesis is a tight-binding chain with nearest-neighbour interaction. At weak and intermediate interactions it belongs to the class of Luttinger liquids (LLs) whose low energy properties are characterized by power laws. The transport properties of LLs have been studied experimentally for example on carbon nanotubes. However, the presence of transport barriers at the contacts make the interpretation of the experimental data difficult. A theoretical treatment with the fRG permits a rather large flexibility to model the barrier configuration. In this thesis the fRG is first used in its equilibrium Matsubara implementation in order to analyse the temperature dependence of the linear conductance in the presence of two, three or four barriers. It is shown that temperature induces an averaging over quantum phases of propagation, leading to combinations of the power law exponents of the individual barriers. An experimental set-up that allows to verify this behaviour is proposed. In a second step the Keldysh version of the fRG is applied to the problem of transport through a quantum wire at finite bias voltage. For a wire with two high contact barriers it is found that the non-equilibrium particle distribution in the wire is responsible for the appearance of a two-fold power law in the density of states. An additional weakly attached probe lead can be used to make the two different power laws visible in the conductance. The second model which is analysed is the one of the single Anderson impurity, often considered as a paradigm for the investigation of strong local electron correlations. The latter become noticeable in the appearance of the Kondo scale, an energy exponentially small in the interaction strength, that characterizes the low energy physics of the model in the regime of spin fluctuations. On the basis of this model an advanced frequency dependent approximation for the Keldysh fRG is developed in this thesis. Such an approximation can account for subleading effects of the interaction, namely the fact that two-particle interactions can generate decay rates for single-particle states. The derivation of a consistent approximation scheme is presented, that turns out to yield a good description of the model at moderate interaction strength.
The present work applies a numerical method, namely the transfer-matrix density-matrix renormalization group (TMRG), to two seemingly different types of models. In a first part the TMRG is used to investigate the thermodynamics of one-dimensional fermionic models. A second part deals with a novel TMRG method for one-dimensional stochastic models, whose development is an integral part of the thesis. First, the traditional TMRG algorithm for quantum systems is outlined in its historical context. Two different variants are presented, following works of Xiang et al. and Sirker and Klümper, respectively. The basic idea of the method is to map the thermodynamics of a one-dimensional quantum model by Trotter-Suzuki decomposition onto a two-dimensional statistical one. The latter is then solved by a transfer-matrix approach combined with the iterative numerical procedure of White's density-matrix renormalization-group (DMRG) algorithm. Thereby precise computations of various thermodynamic properties, such as thermodynamic potentials, susceptibilities, thermal expectation values and correlation functions are possible. As the first part of the thesis deals with fermionic models, we next review some basics about the theory of strongly correlated fermions in one dimension. Thereupon we elucidate the so-called Hirsch model, which recently gained a lot of theoretic interest in respect to high-temperature superconductivity. It extends the well-studied Hubbard model by an off-diagonal bond-charge interaction term. The current state of research is briefly summarized and mainly refers to ground state properties. Showing numerical TMRG results we then investigate and discuss the almost unknown thermodynamics of the Hirsch model. Various phases are identified and characterized in terms of Tomonaga-Luttinger and Luther-Emery liquid properties, in accordance with previous studies of the ground state. As an important result, superconducting singlet-pair correlation lenths are observed to dominate the physics at finite temperatures in a certain spin-gaped phase. Subsequent to our thermodynamic studies, we turn to the second part of the thesis and outline some theoretic basics of stochastic models. Most notably is the important formal analogy of the master equation, that describes the dynamics of the model, to a Schrödinger equation in imaginary time. This analogy is used to construct a stochastic TMRG algorithm almost similar to the quantum case, that facilitates the computation of dynamic properties, e.g. the local density of particles. We intensively focus on interesting mathematical properties of the stochastic transfer-matrix. As an astonishing result it is found, that the temporal evolution of the non-equilibrium process is reflected by a certain causal structure of the stochastic TMRG. But even if this new approach seems to be promising at first glance, severe numerical problems limit significantly its practical use. In order to solve these instabilities we propose a completely new variant of the algorithm, which we call stochastic light-cone corner-transfermatrix DMRG (LCTMRG). As suggested by its name, the LCTMRG makes use of the causal structure mentioned above and combines it with the stochastic TMRG algorithm. Applications of the LCTMRG onto various reaction-diffusion models verify highly precise numerical data and a great improve compared to the old algorithm by several orders of magnitude. Additionally it is stressed, that the newly proposed analysis tool provides some considerable advantages to common simulation techniques.