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SYIS: Symposium Progress and Challenges in Modelling Electron-Phonon Interaction in Solids
SYIS 1: Progress and Challenges in Modelling Electron-Phonon Interaction in Solids
SYIS 1.4: Hauptvortrag
Dienstag, 18. März 2025, 11:15–11:45, H1
Wannier-Function-Based First-principle Approach to Coupled Exciton-Phonon-Photon Dynamics in Two-Dimensional Semiconductors — •Alexander Steinhoff1, Matthias Florian2, and Frank Jahnke1 — 1Institut für Theoretische Physik, Universität Bremen, Bremen, Germany — 2Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor, USA
Marrying the predictive power of ab initio calculations with many-body effects of ever increasing complexity remains a challenging task. In particular, for van der Waals materials, understanding carrier-phonon interaction from first principles is a field of growing interest. Here, we present a many-body theory for coupled free-carrier, exciton, phonon and photon dynamics based on carrier-carrier and carrier-phonon interaction matrix elements obtained from first principles via projection on Wannier orbitals. We demonstrate the impact of carrier-two-phonon scattering processes on optical spectra and coupled nonequilibrium carrier-phonon kinetics in monolayer MoSe2. Our studies open a perspective to advance the material-realistic description of nonequilibrium physics in two- dimensional nanostructures to new many-body levels.
Keywords: two-dimensional semiconductors; excitons; quantum kinetics