Bilayer tellurene–metal interfaces

Abstract

Tellurene, an emerging two-dimensional chain-like semiconductor, stands out for its high switch ratio, carrier mobility and excellent stability in air. Directly contacting the 2D semiconductor materials with metal electrodes is a feasible doping means to inject carriers. However, Schottky barrier often arises at the metal–semiconductors interface, impeding the transport of carriers. Herein, we investigate the interfacial properties of BL tellurene by contacting with various metals including graphene by using ab initio calculations and quantum transport simulations. Vertical Schottky barriers take place in Ag, Al, Au and Cu electrodes according to the maintenance of the noncontact tellurene layer band structure. Besides, a p-type vertical Schottky contact is formed due to the van der Waals interaction for graphene electrode. As for the lateral direction, p-type Schottky contacts take shape for bulk metal electrodes (hole Schottky barrier heights (SBHs) ranging from 0.19 to 0.35 eV). Strong Fermi level pinning takes place with a pinning factor of 0.02. Notably, a desirable p-type quasi-Ohmic contact is developed for graphene electrode with a hole SBH of 0.08 eV. Our work sheds light on the interfacial properties of BL tellurene based transistors and could guide the experimental selections on electrodes.