Electrical Contacts in Monolayer Arsenene Devices.

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Arsenene, an emerging 2D semiconductor analogous to graphene, shows potential for advanced electronics.
• Electrical contacts significantly influence the performance of 2D semiconductor devices, potentially masking intrinsic properties.

Purpose of the Study:

• To comprehensively study the electrical contact properties of monolayer (ML) arsenene with various electrodes.
• To investigate the impact of different metal and hybrid electrodes on charge transport in ML arsenene.

Main Methods:

• Utilizing ab initio electronic calculations.
• Employing quantum transport simulations.
• Analyzing Schottky barrier formation and Fermi level pinning effects.

Main Results:

• Bulk metal contacts consistently form Schottky barriers due to Fermi level pinning (S=0.33).
• Specific electron Schottky barrier heights (SBH) range from 0.12 eV (Sc) to 0.50 eV (Au).
• Hole SBH values are 0.75 eV (Pd) and 0.78 eV (Pt).
• Contact with 2D graphene reduces Fermi level pinning by suppressing metal-induced gap states.
• A graphene-Pt hybrid electrode achieves barrier-free hole injection in ML arsenene devices.

Conclusions:

• The choice of electrode is critical for optimizing ML arsenene-based electronic and optoelectronic devices.
• Graphene-based hybrid electrodes offer a promising route to overcome limitations imposed by traditional metal contacts.
• This research provides a theoretical basis for selecting optimal electrodes for future ML arsenene applications.