Combining density functional theory with macroscopic QED for quantum light-matter interactions in 2D materials.

ABSTRACT: A quantitative and predictive theory of quantum light-matter interactions in ultra thin materials involves several fundamental challenges. Any realistic model must simultaneously account for the ultra-confined plasmonic modes and their quantization in the presence of losses, while describing the electronic states from first principles. Herein we develop such a framework by combining density functional theory (DFT) with macroscopic quantum electrodynamics, which we use to show Purcell enhancements reaching 10⁷ for intersubband transitions in few-layer transition metal dichalcogenides sandwiched between graphene and a perfect conductor. The general validity of our methodology allows us to put several common approximation paradigms to quantitative test, namely the dipole-approximat

SUBMITTER: Svendsen MK 

PROVIDER: S-EPMC8119442 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature