Schottky and Ohmic Contacts at α-Tellurene/2D Metal Interfaces

Tellurene, a two-dimensional (2D) atomic crystal, has been suggested to be a promising channel material. To construct high-performance tellurene-based field effect transistors, a suitable metal electrode should be used. It is desirable that the metal electrode forms an Ohmic contact with tellurene or at least the corresponding contact only has a low Schottky barrier. In this study, properties of interfaces between alpha-tellurene and a series of 2D metals are explored via first-principles calculations. It is revealed that NbS2 and TaS2 can form p-type Ohmic contacts with monolayer alpha-tellurene. OH-terminated M3C2 (M = Hf, Nb, Ti, V, Zr) can be adopted to form n-type Ohmic contacts. Interlayer spacing can be used as an effective method to tune the tunneling probability. These findings provide useful insights in understanding the alpha-Te/2D metal interface and give a practical guidance on electrode selection.

Automated summary

This study investigates the properties of interfaces between α-te and a series of 2D metals through first-principles calculations. It is found that NbS2 and TaS2 can form p-type Ohmic contacts, while OH-terminated M3C2 (M = Hf, Nb, Ti, V, Zr) can form n-type Ohmic contacts.