Electric Field Induced Schottky to Ohmic Contact Transition in Fe3GeTe2/TMDs Contacts

Although the two-dimensional transitionmetal dichalcogenides(TMDs)present excellent electrical properties, the contact resistance atthe interface of metal/TMDs limits the device performance. Herein,we use 2D metallic Fe3GeTe2 (FGT) as an electrodein contact with TMDs semiconductors MX2 (M = Mo, W; X =S, Se, Te) and investigate the contact properties of FGT/MX2 based on density functional theory calculations. We demonstratedthat FGT/MX2 presents n-type Schottky contacts, and theirn-type Schottky barrier heights are lower than that of the most commonbulk metal contacts with MX2, suggesting that FGT can beused as an efficient metallic electrode for MX2. The transitionsfrom n-type Schottky contact to p-type Schottky contact and from Schottkycontact to Ohmic contact can be achieved in FGT/MX2 underthe electric field. This work not only illustrates an effective methodto modulate the contact types and Schottky barrier heights of FGT/MX2 contacts but also provides a route for designing the nanodevicesbased on FGT/MX2 electrical contacts.

Automated summary

In this study, the contact properties of 2D metallic Fe3GeTe2 (FGT) electrode in contact with MX2 semiconductors (M = Mo, W; X = S, Se, Te) were investigated using density functional theory calculations. It was found that FGT/MX2 exhibits n-type Schottky contacts with lower barrier heights compared to common bulk metal contacts with MX2, indicating FGT can serve as an efficient metallic electrode for MX2. The transition from n-type Schottky contact to p-type Schottky contact and Schottky contact to Ohmic contact can be achieved in FGT/MX2 under electric field. This work not only provides insights into modulating the contact properties of FGT/MX2 but also offers a route for designing nanodevices based on FGT/MX2 electrical contacts.