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Renormalization, conservation laws and transport in correlated electron systems

Tilman Enss

Published Jan 1, 2005• 9 citations
Publisher

Abstract

This thesis comprises two parts centered around the functional renormalization-group framework: in the first part, I study the role of symmetries and conservation laws in approximate solutions, while in the second part I analyze Friedel oscillations and transport in Luttinger liquids with impurities. The functional renormalization group (fRG) has been developed as a new computational tool in the theory of interacting Fermi systems. The effective behavior of a given microscopic model is calculated by solving coupled differential flow equations for the Green functions with an energy scale as the flow parameter. The symmetries of the microscopic model imply Ward identities between Green and response functions. It is shown that solutions of truncated flow-equation hierarchies satisfy Ward identities if the cutoff bare action is gauge invariant. However, truncations are generally not self-consistent approximations in the sense of Baym and Kadanoff. The fRG is then applied to study Luttinger liquids. By computing the full spatial effective potential of a single impurity, long-range Friedel oscillations are observed in the density profile with the expected power laws for systems with up to 10^7 lattice sites. For a double barrier enclosing a dot region we find temperature regimes in which the conductance follows power laws with universal exponents, as well as non-universal crossover regimes in intermediate parameter regions.

DOI
10.18419/opus-6568

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Renormalization, Conservation Laws and Transport in Correlated Electron Systems

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This thesis comprises two parts centered around the functional renormalization-group framework: in the first part, I study the role of symmetries and conservation laws in approximate solutions, while in the second part I analyze Friedel oscillations and transport in Luttinger liquids with impurities. The functional renormalization group (fRG) has been developed as a new computational tool in the theory of interacting Fermi systems. The effective behavior of a given microscopic model is calculated by solving coupled differential flow equations for the Green functions with an energy scale as the flow parameter. The symmetries of the microscopic model imply Ward identities between Green and response functions. It is shown that solutions of truncated flow-equation hierarchies satisfy Ward identities if the cutoff bare action is gauge invariant. However, truncations are generally not self-consistent approximations in the sense of Baym and Kadanoff. The fRG is then applied to study Luttinger liquids. By computing the full spatial effective potential of a single impurity, long-range Friedel oscillations are observed in the density profile with the expected power laws for systems with up to 10^7 lattice sites. For a double barrier enclosing a dot region we find temperature regimes in which the conductance follows power laws with universal exponents, as well as non-universal crossover regimes in intermediate parameter regions.

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In one-dimensional quantum wires the interplay of electron correlations and impurities strongly influences the low-energy physics. The diversity of energy scales and the competition of correlations in interacting Fermi systems can be treated very efficiently with the functional renormalization group (fRG), describing the gradual evolution from a microscopic model Hamiltonian to the effective low-energy action as a function of a continuously decreasing energy cutoff. The fRG provides the universal low-energy asymptotics as well as nonuniversal properties, and in particular an answer to the important question at what scale the ultimate asymptotics sets in. We investigate the influence of impurities on spectral and transport properties of fermionic lattice models with short-range interactions. The results capture relevant energy scales and crossover phenomena, in addition to the universal low-energy asymptotics. For weak and intermediate impurity strengths the asymptotic behavior is approached only at rather low energy scales, accessible only for very large systems. For spin-1/2 systems two-particle backscattering leads to striking effects, which are not captured if the bulk system is approximated by its low-energy fixed point, the Luttinger model. In particular, the expected decrease of spectral weight near the impurity and of the conductance at low energy scales is often preceded by a pronounced increase, and the asymptotic power laws are modified by logarithmic corrections.

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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.

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Numerous correlated electron systems exhibit a strongly scale-dependent behavior. Upon lowering the energy scale, collective phenomena, bound states, and new effective degrees of freedom emerge. Typical examples include (i) competing magnetic, charge, and pairing instabilities in two-dimensional electron systems; (ii) the interplay of electronic excitations and order parameter fluctuations near thermal and quantum phase transitions in metals; and (iii) correlation effects such as Luttinger liquid behavior and the Kondo effect showing up in linear and nonequilibrium transport through quantum wires and quantum dots. The functional renormalization group is a flexible and unbiased tool for dealing with such scale-dependent behavior. Its starting point is an exact functional flow equation, which yields the gradual evolution from a microscopic model action to the final effective action as a function of a continuously decreasing energy scale. Expanding in powers of the fields one obtains an exact hierarchy of flow equations for vertex functions. Truncations of this hierarchy have led to powerful new approximation schemes. This review is a comprehensive introduction to the functional renormalization group method for interacting Fermi systems. A self-contained derivation of the exact flow equations is presented and frequently used truncation schemes are described. Reviewing selected applications it is shown how approximations based on the functional renormalization group can be fruitfully used to improve our understanding of correlated fermion systems.

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Strongly correlated electron systems host a plethora of fascinating physical phenomena and pose formidable challenges in their theoretical analysis. The challenges originate from the inherent complexity of the quantum many-body problem - no classical computer will ever be able to fully simulate these systems - and the lack of an effective single-particle picture, as the strong mutual interactions make it impossible to regard the electrons as independent from each other. As a consequence, most systems of correlated electrons can only be tackled approximately and numerically. In this thesis, we develop a set of numerical methods for strongly correlated electrons, which are inspired by the renormalization group (RG) idea of including degrees of freedom successively from high to low energies. This enables an efficient organization of the diverse fluctuations and is key for an accurate treatment of interacting quantum systems, where collective behavior and composite objects emerge at energy scales far below those of the microscopic constituents. In a first part, we consider the functional renormalization group (fRG), a versatile framework to study the flow of correlation functions upon modulating the underlying action. Though widely used, it has often acted more as a qualitative rather than quantitative method, due a nontransparent approximation induced by truncating the hierarchy of flow equations. We develop an iterative multiloop fRG (mfRG) scheme, which ameliorates this approximation and eliminates many of the drawbacks of fRG experienced hitherto. In particular, it restores the independence of results on the choice of RG regulator and establishes a rigorous relation to the parquet formalism. Furthermore, we show how to derive the flow equations directly from self-consistent many-body relations. This establishes a form of diagrammatic resummations at the two-particle level which circumvents ill-behaved two-particle-irreducible vertices. An application to the prototypical two-dimensional Hubbard model illustrates how our multiloop scheme elevates the fRG approach to correlated electron systems to a quantitative level. Secondly, we employ the numerical renormalization group (NRG), based on the iterative diagonalization of impurity Hamiltonians, in conjunction with the dynamical mean-field theory (DMFT) to describe local correlations in multiorbital systems. Having access to arbitrarily low temperatures and energies, NRG is a unique, real-frequency impurity solver for DMFT. It has been pivotal to the understanding of Hund metals, where strong correlations arise from Hund's rules even at moderate Coulomb repulsion. Building on recent methodological advances, we extend the range of application of DMFT+NRG from orbital-degenerate models to more realistic setups: We first study orbital differentiation in a three-orbital Hund-metal model and unravel key effects of the orbital-selective Mott transition. In a real-materials setting, we then incorporate the bandstructure from density functional theory (DFT) and analyze the archetypal Hund-metal material Sr2RuO4. We particularly follow its RG flow to the Fermi-liquid regime at previously inaccessible low temperatures and generally present DFT+DMFT+NRG as a new computational paradigm for strongly correlated materials. As a side project of our fRG work, we develop an algorithm to count Feynman diagrams from closed many-body relations, which reveals the surprising outcome that totally irreducible contributions are responsible for the factorial growth in the number of diagrams. Additionally, we use NRG to study transport through three-level quantum dots and provide benchmark data for other RG methods, which aim at further describing these systems in nonequilibrium.

•Jan 1, 2019•0 citations
This thesis comprises two parts centered around the functional renormalization-group framework: in the first part, I study the role of symmetries and conservation laws in approximate solutions, while in the second part I analyze Friedel oscillations and transport in Luttinger liquids with impurities. The functional renormalization group (fRG) has been developed as a new computational tool in the theory of interacting Fermi systems. The effective behavior of a given microscopic model is calculated by solving coupled differential flow equations for the Green functions with an energy scale as the flow parameter. The symmetries of the microscopic model imply Ward identities between Green and response functions. It is shown that solutions of truncated flow-equation hierarchies satisfy Ward identities if the cutoff bare action is gauge invariant. However, truncations are generally not self-consistent approximations in the sense of Baym and Kadanoff. The fRG is then applied to study Luttinger liquids. By computing the full spatial effective potential of a single impurity, long-range Friedel oscillations are observed in the density profile with the expected power laws for systems with up to 10^7 lattice sites. For a double barrier enclosing a dot region we find temperature regimes in which the conductance follows power laws with universal exponents, as well as non-universal crossover regimes in intermediate parameter regions.
This thesis comprises two parts centered around the functional renormalization-group framework: in the first part, I study the role of symmetries and conservation laws in approximate solutions, while in the second part I analyze Friedel oscillations and transport in Luttinger liquids with impurities. The functional renormalization group (fRG) has been developed as a new computational tool in the theory of interacting Fermi systems. The effective behavior of a given microscopic model is calculated by solving coupled differential flow equations for the Green functions with an energy scale as the flow parameter. The symmetries of the microscopic model imply Ward identities between Green and response functions. It is shown that solutions of truncated flow-equation hierarchies satisfy Ward identities if the cutoff bare action is gauge invariant. However, truncations are generally not self-consistent approximations in the sense of Baym and Kadanoff. The fRG is then applied to study Luttinger liquids. By computing the full spatial effective potential of a single impurity, long-range Friedel oscillations are observed in the density profile with the expected power laws for systems with up to 10^7 lattice sites. For a double barrier enclosing a dot region we find temperature regimes in which the conductance follows power laws with universal exponents, as well as non-universal crossover regimes in intermediate parameter regions.
In one-dimensional quantum wires the interplay of electron correlations and impurities strongly influences the low-energy physics. The diversity of energy scales and the competition of correlations in interacting Fermi systems can be treated very efficiently with the functional renormalization group (fRG), describing the gradual evolution from a microscopic model Hamiltonian to the effective low-energy action as a function of a continuously decreasing energy cutoff. The fRG provides the universal low-energy asymptotics as well as nonuniversal properties, and in particular an answer to the important question at what scale the ultimate asymptotics sets in. We investigate the influence of impurities on spectral and transport properties of fermionic lattice models with short-range interactions. The results capture relevant energy scales and crossover phenomena, in addition to the universal low-energy asymptotics. For weak and intermediate impurity strengths the asymptotic behavior is approached only at rather low energy scales, accessible only for very large systems. For spin-1/2 systems two-particle backscattering leads to striking effects, which are not captured if the bulk system is approximated by its low-energy fixed point, the Luttinger model. In particular, the expected decrease of spectral weight near the impurity and of the conductance at low energy scales is often preceded by a pronounced increase, and the asymptotic power laws are modified by logarithmic corrections.
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.
We improve the recently developed functional renormalization group (fRG) for impurities and boundaries in Luttinger liquids by including renormalization of the two-particle interaction, in addition to renormalization of the impurity potential. Explicit flow equations are derived for spinless lattice fermions with nearest-neighbor interaction at zero temperature, and a fast algorithm for solving these equations for very large systems is presented. We compute spectral properties of single-particle excitations, and the oscillations in the density profile induced by impurities or boundaries for chains with up to 106{10}^{6}106 lattice sites. The expected asymptotic power laws at low energy or long distance are fully captured by the fRG. Results on the relevant energy scales and crossover phenomena at intermediate scales are also obtained. A comparison with numerical density matrix renormalization results for systems with up to 1000 sites shows that the fRG with the inclusion of vertex renormalization is remarkably accurate even for intermediate interaction strengths.
Numerous correlated electron systems exhibit a strongly scale-dependent behavior. Upon lowering the energy scale, collective phenomena, bound states, and new effective degrees of freedom emerge. Typical examples include (i) competing magnetic, charge, and pairing instabilities in two-dimensional electron systems; (ii) the interplay of electronic excitations and order parameter fluctuations near thermal and quantum phase transitions in metals; and (iii) correlation effects such as Luttinger liquid behavior and the Kondo effect showing up in linear and nonequilibrium transport through quantum wires and quantum dots. The functional renormalization group is a flexible and unbiased tool for dealing with such scale-dependent behavior. Its starting point is an exact functional flow equation, which yields the gradual evolution from a microscopic model action to the final effective action as a function of a continuously decreasing energy scale. Expanding in powers of the fields one obtains an exact hierarchy of flow equations for vertex functions. Truncations of this hierarchy have led to powerful new approximation schemes. This review is a comprehensive introduction to the functional renormalization group method for interacting Fermi systems. A self-contained derivation of the exact flow equations is presented and frequently used truncation schemes are described. Reviewing selected applications it is shown how approximations based on the functional renormalization group can be fruitfully used to improve our understanding of correlated fermion systems.
Strongly correlated electron systems host a plethora of fascinating physical phenomena and pose formidable challenges in their theoretical analysis. The challenges originate from the inherent complexity of the quantum many-body problem - no classical computer will ever be able to fully simulate these systems - and the lack of an effective single-particle picture, as the strong mutual interactions make it impossible to regard the electrons as independent from each other. As a consequence, most systems of correlated electrons can only be tackled approximately and numerically. In this thesis, we develop a set of numerical methods for strongly correlated electrons, which are inspired by the renormalization group (RG) idea of including degrees of freedom successively from high to low energies. This enables an efficient organization of the diverse fluctuations and is key for an accurate treatment of interacting quantum systems, where collective behavior and composite objects emerge at energy scales far below those of the microscopic constituents. In a first part, we consider the functional renormalization group (fRG), a versatile framework to study the flow of correlation functions upon modulating the underlying action. Though widely used, it has often acted more as a qualitative rather than quantitative method, due a nontransparent approximation induced by truncating the hierarchy of flow equations. We develop an iterative multiloop fRG (mfRG) scheme, which ameliorates this approximation and eliminates many of the drawbacks of fRG experienced hitherto. In particular, it restores the independence of results on the choice of RG regulator and establishes a rigorous relation to the parquet formalism. Furthermore, we show how to derive the flow equations directly from self-consistent many-body relations. This establishes a form of diagrammatic resummations at the two-particle level which circumvents ill-behaved two-particle-irreducible vertices. An application to the prototypical two-dimensional Hubbard model illustrates how our multiloop scheme elevates the fRG approach to correlated electron systems to a quantitative level. Secondly, we employ the numerical renormalization group (NRG), based on the iterative diagonalization of impurity Hamiltonians, in conjunction with the dynamical mean-field theory (DMFT) to describe local correlations in multiorbital systems. Having access to arbitrarily low temperatures and energies, NRG is a unique, real-frequency impurity solver for DMFT. It has been pivotal to the understanding of Hund metals, where strong correlations arise from Hund's rules even at moderate Coulomb repulsion. Building on recent methodological advances, we extend the range of application of DMFT+NRG from orbital-degenerate models to more realistic setups: We first study orbital differentiation in a three-orbital Hund-metal model and unravel key effects of the orbital-selective Mott transition. In a real-materials setting, we then incorporate the bandstructure from density functional theory (DFT) and analyze the archetypal Hund-metal material Sr2RuO4. We particularly follow its RG flow to the Fermi-liquid regime at previously inaccessible low temperatures and generally present DFT+DMFT+NRG as a new computational paradigm for strongly correlated materials. As a side project of our fRG work, we develop an algorithm to count Feynman diagrams from closed many-body relations, which reveals the surprising outcome that totally irreducible contributions are responsible for the factorial growth in the number of diagrams. Additionally, we use NRG to study transport through three-level quantum dots and provide benchmark data for other RG methods, which aim at further describing these systems in nonequilibrium.