Quantitative Mapping of the Charge Density in a Monolayer of MoS₂ at Atomic Resolution by Off-Axis Electron...

The electric potential, electric field, and charge density of a monolayer of MoS₂ have been quantitatively measured at atomic-scale resolution. This has been performed by off-axis electron holography using a double aberration-corrected transmission electron microscope operated at 80 kV and a low electron beam current density. Using this low dose rate and acceleration voltage, the specimen damage is limited during imaging. In order to improve the sensitivity of the measurement, a series of holograms have been acquired. Instabilities of the microscope such as the drifts of the specimen, biprism, and optical aberrations during the acquisition have been corrected by data processing. Phase images of the MoS₂ monolayer have been acquired with a sensitivity of 2π/698 rad associated with a spatial resolution of 2.4 Å. The improvement in the signal-to-noise ratio allows the charge density to be directly calculated from the phase images using Poisson's equation. Density functional theory simulations of the potential and charge density of this MoS₂ monolayer were performed for comparison to the experiment. The experimental measurements and simulations are consistent with each other, and notably, the charge density in a sulfur monovacancy (V_S) site is shown.