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Theoretical Study of Low-Dimensional Systems by Numerical Renormalization Groups

巧一 奥西

Published Mar 25, 1999• 0 citations
Publisher
DOI
10.11501/3155116

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We derive two-loop renormalization group equations for the half filled one-dimensional Hubbard chains coupled by the interchain hopping. Our renormalization group scheme for the quasi-one-dimensional electron system is a natural extension of that for the purely one-dimensional systems in the sense that transverse-momentum dependences are introduced in the $g$-ological coupling constants and we regard the transverse momentum as a patch index. We develop symmetry arguments for the particle-hole symmetric half filled Hubbard model and obtain constraints on the $g$-ological coupling constants by which resultant renormalization equations are given in a compact form. By solving the renormalization group equations numerically, we estimate the magnitude of excitation gaps and clarify that the charge gap is suppressed due to the interchain hopping but is always finite even for the relevant interchain hopping. To show the validity of the present analysis, we also apply this to the two-leg ladder system. By utilizing the field-theoretical Bosonization and Fermionization method, we derive low-energy effective theory and analyze the magnitude of all the excitation gaps in detail. It is shown that the low-energy excitations in the two-leg Hubbard ladder have $\mathrm{SO}(3)\ifmmode\times\else\texttimes\fi{}\mathrm{SO}(3)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)$ symmetry when the interchain hopping exceeds the magnitude of the charge gap.

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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.

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We derive two-loop renormalization group equations for the half filled one-dimensional Hubbard chains coupled by the interchain hopping. Our renormalization group scheme for the quasi-one-dimensional electron system is a natural extension of that for the purely one-dimensional systems in the sense that transverse-momentum dependences are introduced in the ggg-ological coupling constants and we regard the transverse momentum as a patch index. We develop symmetry arguments for the particle-hole symmetric half filled Hubbard model and obtain constraints on the ggg-ological coupling constants by which resultant renormalization equations are given in a compact form. By solving the renormalization group equations numerically, we estimate the magnitude of excitation gaps and clarify that the charge gap is suppressed due to the interchain hopping but is always finite even for the relevant interchain hopping. To show the validity of the present analysis, we also apply this to the two-leg ladder system. By utilizing the field-theoretical Bosonization and Fermionization method, we derive low-energy effective theory and analyze the magnitude of all the excitation gaps in detail. It is shown that the low-energy excitations in the two-leg Hubbard ladder have $\mathrm{SO}(3)\ifmmode\times\else\texttimes\fi{}\mathrm{SO}(3)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)$ symmetry when the interchain hopping exceeds the magnitude of the charge gap.
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.