Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
DS: Fachverband Dünne Schichten
DS 20: Poster
DS 20.52: Poster
Donnerstag, 12. März 2026, 18:30–20:30, P2
Cavity-modified electron mobility in monolayer black phosphorus from first principles — •Qinyan Yi1, I-Te Lu1, and Angel Rubio1,2 — 1Max Planck Institute for the Structure and Dynamics of Matter, Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany — 2Initiative for Computational Catalysis, The Flatiron Institute, Simons Foundation, New York City, NY 10010, United States of America
Cavity materials engineering offers a new route to control material properties through quantum fluctuations, without requiring external driving fields such as laser pulses. However, theoretical studies of cavity-modified transport in realistic materials are still lacking. In this work, we perform an ab initio study of monolayer black phosphorus coupled to cavity photons using quantum electrodynamical density functional theory (QEDFT), which includes an additional electron-photon exchange potential in the Kohn-Sham Hamiltonian. Our results show that cavity photons can modify the electron-phonon interaction of black phosphorus and decrease the phonon-limited scattering rate, leading to an increase in electron mobility by about 10% for a realistic coupling ratio of mode strength to bare photon frequency of 0.1, which is the upper limit of a realistic device. These results demonstrate that cavity materials engineering can modify the materials transport, highlighting its promise as a practical, non-intrusive approach for tuning material properties.
Keywords: cavity materials engineering; electron mobility; first principles calculation