Login / Signup

Many-body enhancement of high-harmonic generation in monolayer MoS 2 .

Victor Chang LeeLun YueMette B GaardeYang-Hao ChanDiana Yuan Qiu
Published in: Nature communications (2024)
Many-body effects play an important role in enhancing and modifying optical absorption and other excited-state properties of solids in the perturbative regime, but their role in high harmonic generation (HHG) and other nonlinear response beyond the perturbative regime is not well-understood. We develop here an ab initio many-body method to study nonperturbative HHG based on the real-time propagation of the non-equilibrium Green's function with the GW self energy. We calculate the HHG of monolayer MoS 2 and obtain good agreement with experiment, including the reproduction of characteristic patterns of monotonic and nonmonotonic harmonic yield in the parallel and perpendicular responses, respectively. Here, we show that many-body effects are especially important to accurately reproduce the spectral features in the perpendicular response, which reflect a complex interplay of electron-hole interactions (or exciton effects) in tandem with the many-body renormalization and Berry curvature of the independent quasiparticle bandstructure.
Keyphrases
  • high resolution
  • computed tomography
  • magnetic resonance
  • molecular dynamics
  • room temperature
  • mass spectrometry
  • reduced graphene oxide
  • ionic liquid