Enhanced high-order harmonics through periodicity breaks: from backscattering to impurity states

Abstract: Backscattering of delocalized electrons has been recently established [Phys. Rev. A 105, L041101 (2022)] as a mechanism to enhance high-order harmonic generation (HHG) in periodic systems with broken translational symmetry. Here we study this effect for a variable spatial gap in an atomic chain. Propagating the many-electron dynamics numerically, we find enhanced HHG and identify its origin in two mechanisms, depending on the gap size, either backscattering or enhanced tunneling from an impurity state. Since the gapped atomic chain exhibits both impurities and vacancies in a unified setting, it provides insight how periodicity breaks influence HHG in different scenarios.