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arXiv:2103.02624 · Physical review. B./Physical review. B

Elementary band representations for the single-particle Green's function of interacting topological insulators

Dominik Leßnich, Stephen M. Winter, Mikel Iraola, Maia G. Vergniory, Roser Valentí

Published Aug 11, 2021• 21 citations
arXivHTMLPDF

Abstract

We discuss the applicability of elementary band representations (EBRs) to diagnose spatial- and time-reversal-symmetry protected topological phases in interacting insulators in terms of their single-particle Green's functions. We do so by considering an auxiliary noninteracting system ${H}_{\text{T}}(\mathbf{k})=\ensuremath{-}{G}^{\ensuremath{-}1}(0,\mathbf{k})$, known as the topological Hamiltonian, whose bands can be labeled by EBRs. This labeling is robust if neither (i) the gap in the spectral function at zero frequency closes, (ii) the Green's function has a zero at zero frequency, or (iii) the Green's function breaks a protecting symmetry. We demonstrate the use of EBRs applied to the Green's function on the one-dimensional Su-Schrieffer-Heeger model with Hubbard interactions, which we solve by exact diagonalization for a finite number of unit cells. Finally, the use of EBRs for the Green's function to diagnose so-called symmetry-protected topological phases is discussed, but remains an open question.

DOI
10.1103/physrevb.104.085116

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We discuss the applicability of elementary band representations (EBRs) to diagnose spatial- and time-reversal-symmetry protected topological phases in interacting insulators in terms of their single-particle Green's functions. We do so by considering an auxiliary noninteracting system HT(k)=\ensuremath−G\ensuremath−1(0,k){H}_{\text{T}}(\mathbf{k})=\ensuremath{-}{G}^{\ensuremath{-}1}(0,\mathbf{k})HT​(k)=\ensuremath−G\ensuremath−1(0,k), known as the topological Hamiltonian, whose bands can be labeled by EBRs. This labeling is robust if neither (i) the gap in the spectral function at zero frequency closes, (ii) the Green's function has a zero at zero frequency, or (iii) the Green's function breaks a protecting symmetry. We demonstrate the use of EBRs applied to the Green's function on the one-dimensional Su-Schrieffer-Heeger model with Hubbard interactions, which we solve by exact diagonalization for a finite number of unit cells. Finally, the use of EBRs for the Green's function to diagnose so-called symmetry-protected topological phases is discussed, but remains an open question.
Understanding how topology survives in strongly correlated systems remains a central challenge, as most topological diagnostics rely on non-interacting band structures. Here we present a framework to characterize interacting topological phases within an effective single-particle description derived from the single-particle Green's function. Using the Su-Schrieffer-Heeger model with Hatsugai-Kohmoto interactions as an analytically tractable example, we construct the one-body reduced density matrix from the Green's function and use it to define an effective winding number together with quantum volume, a measurement of state geometry. These quantities allow us to distinguish three insulating phases including correlated Mott states directly from single-particle observables. Our results show that interacting topology can be interpreted in terms of the spectral weight distribution of single-particle excitations, providing an intuitive and computationally accessible route to diagnose topological phases in correlated systems. This approach is compatible with modern many-body simulation techniques and opens a pathway toward the identification of interacting topological materials.
The Bloch wave functions have been playing a crucial role in the diagnosis of topological phases in noninteracting systems. However, the Bloch waves are no longer applicable in the presence of finite Coulomb interaction and alternative approaches are needed to identify the topological indices. In this paper, we focus on three-dimensional higher-order topological insulators protected by C4T{C}_{4}TC4​T symmetry and show that the topological index can be computed through eigenstates of inverse Green's function at zero frequency. If there is an additional S4{S}_{4}S4​ rotoinversion symmetry, the topological index P3{P}_{3}P3​ can be determined by eigenvalues of S4{S}_{4}S4​ at high-symmetry momenta, similar to the Fu-Kane parity criterion. We verify this method using many-body exact diagonalization in higher-order topological insulators with interaction. We also discuss the realization of this higher-order topological phase in tetragonal lattice structure with C4T{C}_{4}TC4​T-preserving magnetic order. Finally, we discuss the boundary conditions necessary for the hinge states to emerge and show that these hinge states exist even when the boundary is smooth and without a sharp hinge.
Topological phase transitions in free fermion systems can be characterized by the closing of single-particle gap and the change in topological invariants. However, in the presence of electronic interactions, topological phase transitions can be more complicated. In paper I of this series [Phys. Rev. B 93, 195163 (2016)], we have proposed an efficient scheme to evaluate the topological invariants based on the single-particle Green's function formalism. Here, in paper II, we demonstrate several interaction-driven topological phase transitions (TPTs) in two-dimensional (2D) interacting topological insulators (TIs) via large-scale quantum Monte Carlo (QMC) simulations, based on the scheme of evaluating topological invariants presented in paper I. Across these transitions, the defining symmetries of the TIs have been neither explicitly nor spontaneously broken. In the first two models, the topological invariants calculated from the Green's function formalism succeed in characterizing the topologically distinct phases and identifying interaction-driven TPTs. However, in the other two models, we find that the single-particle gap does not close and the topological invariants constructed from the single-particle Green's function acquire no change across the TPTs. Unexpected breakdown of the Green's function formalism in constructing the topological invariants is thus discovered. We thence classify the topological phase transitions in interacting TIs into two categories in practical computation: Those that have noninteracting correspondence can be characterized successfully by the topological invariants constructed from the Green's functions, while for the others that do not have noninteracting correspondence, the Green's function formalism experiences a breakdown, but more interesting and exciting phenomena, such as emergent collective critical modes at the transition, arise. Discussion on the success and breakdown of topological invariants constructed from the Green's function formalism in the context of symmetry protected topological (SPT) states is presented.
The recently introduced topological quantum chemistry (TQC) framework has provided a description of universal topological properties of all possible band insulators in all space groups based on crystalline unitary symmetries and time reversal. While this formalism filled the gap between the mathematical classification and the practical diagnosis of topological materials, an obvious limitation is that it only applies to weakly interacting systems, which can be described within band theory. It is an open question to which extent this formalism can be generalized to correlated systems that can exhibit symmetry-protected topological phases which are not adiabatically connected to any band insulator. In this work, we address the many facets of this question by considering the specific example of an extended version of a Hubbard diamond chain. This model features a Mott insulator, a trivial insulating phase, and an obstructed atomic limit phase. Here we first discuss the nature of the Mott insulator and determine the phase diagram and topology of the interacting model with infinite density matrix renormalization group calculations, variational Monte Carlo simulations, and with many-body topological invariants. We then proceed by considering a generalization of the TQC formalism to Green's functions combined with the concept of a topological Hamiltonian to identify the topological nature of the phases. Here we use cluster perturbation theory to calculate the Green's functions. The results are benchmarked with the above-determined phase diagram, and we discuss the applicability and limitations of the approach and its possible extensions in the diagnosis of topological phases in materials, in contrast to the use of many-body topological invariants.
The topological properties of the Su-Schrieffer-Heeger (SSH) model in the presence of nearest-neighbor interaction are investigated by means of a topological marker, generalized from a noninteracting one by utilizing the single-particle Green's function of the many-body ground state. We find that despite the marker not being perfectly quantized in the presence of interactions, it always remains finite in the topologically nontrivial phase while converging to zero in the trivial phase when approaching the thermodynamic limit, and hence correctly judges the topological phases in the presence of interactions. The marker also correctly captures the interaction-driven, second-order phase transitions between a topological phase and a Landau-ordered phase, which is a charge-density wave order in our model with a local-order parameter, as confirmed by the calculation of entanglement entropy and the many-body Zak phase. Our paper thus points to the possibility of generalizing topological markers to interacting systems through Green's function, which may be feasible for topological insulators in any dimension and symmetry class.
The topological classification of electronic band structures is based on symmetry properties of Bloch eigenstates of single-particle Hamiltonians. In parallel, topological field theory has opened the doors to the formulation and characterization of non-trivial phases of matter driven by strong electron-electron interaction. Even though important examples of topological Mott insulators have been constructed, the relevance of the underlying non-interacting band topology to the physics of the Mott phase has remained unexplored. Here, we show that the momentum structure of the Green's function zeros defining the "Luttinger surface" provides a topological characterization of the Mott phase related, in the simplest description, to the one of the single-particle electronic dispersion. Considerations on the zeros lead to the prediction of new phenomena: a topological Mott insulator with an inverted gap for the bulk zeros must possess gapless zeros at the boundary, which behave as a form of "topological antimatter" annihilating conventional edge states. Placing band and Mott topological insulators in contact produces distinctive observable signatures at the interface, revealing the otherwise spectroscopically elusive Green's function zeros.