Janus VSSi as an efficient 2D electrode for Sb₂C₃ with tunable Schottky contact: a first-principles study

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Two-dimensional (2D) van der Waals (vdW) heterostructures offer tunable interfacial properties for advanced nanoelectronic devices.
• Janus VSSi/Sb2C3 heterostructures are explored for their potential in next-generation electronics.

Purpose of the Study:

• To investigate the structural stability, electronic behavior, and contact properties of the Janus VSSi/Sb2C3 heterostructure.
• To assess the potential of this heterostructure as a building block for nanoelectronic and optoelectronic devices.

Main Methods:

• First-principles calculations were used to analyze the heterostructure's stability and electronic characteristics.
• Contact properties, including ohmic and Schottky contacts, were examined based on interfacial configurations.

Main Results:

• The Janus VSSi/Sb2C3 heterostructure is energetically, mechanically, and dynamically stable.
• Si-terminated interfaces form ohmic contacts, while S-terminated interfaces exhibit n-type Schottky contacts with low barrier heights.
• External electric fields can effectively modulate the Schottky barrier, enabling n-type to p-type contact transitions.

Conclusions:

• Janus VSSi is a promising 2D metallic electrode material.
• The VSSi/Sb2C3 heterostructure is a viable candidate for future nanoelectronic and optoelectronic applications due to its tunable contact properties and efficient carrier transmission.