Interacting topological quantum chemistry of Mott atomic limits

Abstract

Topological quantum chemistry (TQC) is a successful framework for identifying (noninteracting) topological materials. Based on the symmetry eigenvalues of Bloch eigenstates at maximal momenta, which are attainable from first principles calculations, a band structure can either be classified as an atomic limit, in other words adiabatically connected to independent electronic orbitals on the respective crystal lattice, or it is topological. For interacting systems, there is no single-particle band structure and hence, the TQC machinery grinds to a halt. We develop a framework analogous to TQC, but employing n-particle Green's function to classify interacting systems. Fundamentally, we define a class of interacting reference states that generalize the notion of atomic limits, which we call Mott atomic limits, and are symmetry protected topological states. Our formalism allows to fully classify these reference states (with n=2), which can themselves represent symmetry protected topological states. We present a comprehensive classification of such states in one dimension and provide numerical results on model systems. With this, we establish Mott atomic limit states as a generalization of the atomic limits to interacting systems. © 2023 American Physical Society.