Localized interlayer complexes in heterobilayer transition metal dichalcogenides

Abstract

We present theoretical results for the radiative rates and doping-dependent photoluminescence spectrum of interlayer excitonic complexes localized by donor impurities in MoSe$_2$/WSe$_2$ twisted heterobilayers, supported by quantum Monte Carlo calculations of binding energies and wave-function overlap integrals. For closely aligned layers, radiative decay is made possible by the momentum spread of the localized complexes' wave functions, resulting in few $μ$s$^{-1}$ radiative rates. For strongly misaligned layers, the short-range interaction between the carriers and impurity provides a finite radiative rate with a strong asymptotic twist angle dependence $\propto θ^{-8}$. Finally, phonon-assisted recombination is considered, with emission of optical phonons in both layers resulting in additional weaker emission lines, redshifted by the phonon energy.

19 pages, including 11 figures and 5 appendices