Proceedings of nanoGe Fall Meeting 2021 (NFM21)
DOI: https://doi.org/10.29363/nanoge.nfm.2021.077
Publication date: 23rd September 2021
Theoretical predictions of excited-state phenomena in emerging semiconductor systems can lead to a better understanding of nanoscale energy conversion mechanisms and of the excitonic properties and dynamical effects dominating these processes. In this talk, I will discuss the connection between exciton dynamics, lifetimes, and scattering to exciton dispersion. I will present our recent computational study within many-body perturbation theory, showing that nonanalytical discontinuities are arising from the exchange scattering of electron−hole pairs. These discontinuities are material-specific and stem from its symmetry and dimensionality, with jump discontinuities occurring in 3D and different orders of removable discontinuities in 2D and 1D. I will discuss a general theory to explain these unique features in the exciton bandstructure, combining ab initio and model Hamiltonian approaches. These features are directly connected to ultrafast ballistic transport and can be used to approximate exciton radiative lifetimes and diffusion coefficients, in good correspondence with recent experimental observations.
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