Does p-type ohmic contact exist in WSe[subscript 2]–metal interfaces?

Abstract

Formation of low-resistance metal contacts is the biggest challenge that masks the intrinsic exceptional electronic properties of two dimensional WSe[subscript 2] devices. We present the first comparative study of the interfacial properties between monolayer/bilayer (ML/BL) WSe[subscript 2] and Sc, Al, Ag, Au, Pd, and Pt contacts by using ab initio energy band calculations with inclusion of the spin–orbital coupling (SOC) effects and quantum transport simulations. The interlayer coupling tends to reduce both the electron and hole Schottky barrier heights (SBHs) and alters the polarity for the WSe[subscript 2]–Au contact, while the SOC chiefly reduces the hole SBH. In the absence of the SOC, the Pd contact has the smallest hole SBH. Dramatically, the Pt contact surpasses the Pd contact and becomes the p-type ohmic or quasi-ohmic contact with inclusion of the SOC. Therefore, p-type ohmic or quasi-ohmic contact exists in WSe[subscript 2]–metal interfaces. Our study provides a theoretical foundation for the selection of favorable metal electrodes in ML/BL WSe[subscript 2] devices.