Probing Defects in MoS₂ Van der Waals Crystal through Deep‐Level Transient Spectroscopy

The electrical performance of transition metal dichalcogenides (TMDCs) is strongly affected by the quality of electrical metal contacts and the formation of electrically active defects. Herein, deep‐level transient spectroscopy (DLTS) is used for direct probing of deep‐level defects in the bandgap of single MoS₂ van der Waals crystal. Standard DLTS temperature spectra reveal a deep‐level trap located at about 0.36 eV below the conduction band edge. This trap is tentatively attributed to sulfur vacancies and localized on the electronic band structure of MoS₂, obtained within the density functional theory (DFT), and matched with experimentally studied electronic band structure, by absorption and contactless electroreflectance (CER) spectroscopy.