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Bulletin of the American Physical Society

Topological quantum chemistry I: Global band topology and topological phases

Barry Bradlyn, Jennifer Cano, Zhijun Wang, Maia G. Vergniory, Luis Elcoro, Mois Ilia Aroyo, Claudia Felser, Bogdan Andrei Bernevig

Published Mar 13, 2017• 0 citations
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The topological phases of non-interacting fermions have been classified by their symmetries, culminating in a modern electronic band theory where wavefunction topology can be obtained from momentum space. Recently, Real Space Invariants (RSIs) have provided a spatially local description of the global momentum space indices. The present work generalizes this real space classification to interacting 2D states. We construct many-body local RSIs as the quantum numbers of a set of symmetry operators on open boundaries, but which are independent of the choice of boundary. Using the U(1) particle number, they yield many-body fragile topological indices, which we use to identify which single-particle fragile states are many-body topological or trivial at weak coupling. To this end, we construct an exactly solvable Hamiltonian with single-particle fragile topology that is adiabatically connected to a trivial state through strong coupling. We then define global many-body RSIs on periodic boundary conditions. They reduce to Chern numbers in the band theory limit, but also identify strongly correlated stable topological phases with no single-particle counterpart. Finally, we show that the many-body local RSIs appear as quantized coefficients of Wen-Zee terms in the topological quantum field theory describing the phase.
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.
In the study of quantum spin liquids, the Kitaev model plays a pivotal role due to the fact that its ground state is exactly known as well as the fact that it may be realized in strongly frustrated materials such as ααα-RuCl3{}_33​. While topological insulators and superconductors can be investigated by means of topological band theory -- in particular the topological quantum chemistry (TQC) formalism -- the Kitaev model evades such a treatment, as it is not possible to set up a proper single-particle Green's function for it. We instead associate spin operators with ``orbitals'' that give rise to a band structure. It is thereby possible to analyze the corresponding excitation spectrum engendered by these localized excitations by means of TQC. Special attention is given to the low-energy topological edge mode spectrum. Our work sheds light on the question how the TQC formalism may be generalized to strongly correlated and topologically ordered systems like the Kitaev model.