Electron–phonon interaction and ultrafast photoemission from doped monolayer MoS2

Abstract

We have examined the effect of electron–phonon coupling on photoluminescence and ultrafast response of electron doped monolayer MoS₂, using a combination of density functional theory, time dependent density functional theory, and many-body theory. For small doping (∼1–3%) of interest here, the electron–phonon coupling parameter is modest (∼0.1–0.2) but its effect on the emissive properties and response of the system to femtosecond (fs) laser pulses is striking. We find an ultrafast (fs) relaxation of the electronic subsystem as well as a high fluence of visible light emission induced by electron phonon interaction. Together with high carrier mobility, these features of monolayer MoS₂ may be relevant for optoelectronic technologies.