A One-Particle Density Matrix Framework for Mode-Shell Correspondence: Characterizing Topology in Higher-Order Topological Insulators

Abstract: We present a framework for characterizing higher-order topological phases directly from the one-particle density matrix, without any reference to an underlying Hamiltonian. Our approach extends the mode-shell correspondence, originally formulated for single-particle Hamiltonians, to Gaussian states subject to chiral constraints. In this correspondence, the mode index counts topological boundary modes, while the shell index quantifies the bulk topology in a surrounding region, providing a bulk-boundary diagnostic. In one-dimensional topological insulators, the shell index reduces to the local chiral marker, recovering the winding number in the translation-invariant limit. We apply the mode-shell correspondence to a $C_4$-symmetric higher-order topological insulator with a chiral constraint and show that a fractional shell index implies that the higher-order phase is intrinsic. The one-particle density matrix is formulated in real space, so the mode-shell correspondence applies to models without translation invariance. By introducing structural disorder into the $C_4$-symmetric higher-order insulator, we show that the mode-shell correspondence remains a meaningful diagnostic in the amorphous limit. The mode-shell correspondence generalizes to interacting states with a gapped bulk spectrum in the one-particle density matrix, providing a practical and diverse route to characterize higher-order topology from the quantum state itself.