Spin-orbit mediated modulation of defect-phonon coupling in transition metal dichalcogenides

The formation of defects is unavoidable in 2D materials with currently available growth techniques. Nevertheless, a myriad of modern optoelectronic and nanophotonic devices leverages on functionalities like single-photon emission from point defects in solid-state materials. In parallel, advances in atomic-resolution imaging techniques provide opportunities to directly create, manipulate, and characterize defects on the atomic scale in 2D materials. Therefore, we present theoretical calculations and analysis of quantum defects in 2D materials. We study the electron-phonon interactions of electronic transitions in defects and quantify their optical efficiency by calculating the Huang-Rhys factor¹. This presents a pathway for maximizing their optical efficiency and provides a deterministic choice for defect creation at the atomic scale using scanning probe techniques.
¹Axriv 2007.14399