A Spatial Localizer for Electrons in Insulators

Abstract: The location of electrons governs phenomena ranging from chemical bonding and electric polarization to the topological classification of band insulators and the emergence of correlated states in quantum matter. While a prescription exists for finding local state representations of electrons in one-dimensional insulators, no comparably general theory exists in higher dimensions. Here, we introduce a general framework for finding the location of electrons in insulators in two and three dimensions based on the spectral properties of quantum-mechanical operators that we term Spatial Localizers. This framework naturally extends the notion of Wannier centers to insulators with boundaries, defects, and disorder, which we use to establish a position-space formulation of the bulk-defect correspondence for electronic charge. This framework also yields maximally localized electronic states. As two representative examples, we show that these states reduce to maximally localized Wannier functions in atomic insulators, whereas in Chern insulators they form coherent states that mirror the coherent-state structure of Landau levels in the quantum Hall effect.