[GS_C_MS] Unfolding Bloch States in Defective Systems
ABSTRACT
In crystalline solids, unavoidable disorder breaks translational symmetry, rendering k-resolved Bloch states ill-defined. To overcome this issue, we present a methodology that unfolds not only the band structures but also the corresponding Bloch states in disordered systems, going beyond conventional band-unfolding techniques. We demonstrate the cabilities of our approach via Berry curvature calculations in defective graphene. By considering both symmetry-preserving and symmetry-breaking defects, our results capture wavefunction-level geometric responses, showing that symmetry-breaking defects can induce bandgap opening and the spreading of Berry curvature.
