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

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DOI：https://doi.org/10.1021/acsaelm.1c01221

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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 α-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 α-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 α-Te/2D metal interface and give a practical guidance on electrode selection.