Interfacial n-Doping Using an Ultrathin TiO₂ Layer for Contact Resistance Reduction in MoS₂

Abstract

We demonstrate a low and constant effective Schottky barrier height (ΦB ∼ 40 meV) irrespective of the metal work function by introducing an ultrathin TiO2 ALD interfacial layer between various metals (Ti, Ni, Au, and Pd) and MoS2. Transmission line method devices with and without the contact TiO2 interfacial layer on the same MoS2 flake demonstrate reduced (24×) contact resistance (RC) in the presence of TiO2. The insertion of TiO2 at the source-drain contact interface results in significant improvement in the on-current and field effect mobility (up to 10×). The reduction in RC and ΦB has been explained through interfacial doping of MoS2 and validated by first-principles calculations, which indicate metallic behavior of the TiO2-MoS2 interface. Consistent with DFT results of interfacial doping, X-ray photoelectron spectroscopy (XPS) data also exhibit a 0.5 eV shift toward higher binding energies for Mo 3d and S 2p peaks in the presence of TiO2, indicating Fermi level movement toward the conduction band (n-type doping). Ultraviolet photoelectron spectroscopy (UPS) further corroborates the interfacial doping model, as MoS2 flakes capped with ultrathin TiO2 exhibit a reduction of 0.3 eV in the effective work function. Finally, a systematic comparison of the impact of selective doping with the TiO2 layer under the source-drain metal relative to that on top of the MoS2 channel shows a larger benefit for transistor performance from the reduction in source-drain contact resistance.