Origins of Fermi Level Pinning for Ni and Ag Metal Contacts on Tungsten Dichalcogenides

Tungsten transition metal dichalcogenides (W-TMDs) are intriguing due to their properties and potential for application in next-generation electronic devices. However, strong Fermi level (E-F) pinning manifests at the metal/W-TMD interfaces, which could tremendously restrain the carrier injection into the channel. In this work, we illustrate the origins of E-F pinning for Ni and Ag contacts on W-TMDs by considering interface chemistry, band alignment, impurities, and imperfections of W-TMDs, contact metal adsorption mechanism, and the resultant electronic structure. We conclude that the origins of E-F pinning at a covalent contact metal/W-TMD interface, such as Ni/W-TMDs, can be attributed to defects, impurities, and interface reaction products. In contrast, for a van der Waals contact metal/TMD system such as Ag/W-TMDs, the primary factor responsible for E-F pinning is the electronic modification of the TMDs resulting from the defects and impurities with the minor impact of metal-induced gap states. The potential strategies for carefully engineering the metal deposition approach are also discussed. This work unveils the origins of E-F pinning at metal/TMD interfaces experimentally and theoretically and provides guidance on further enhancing and improving the device performance.