Polarization-mediated electronic characteristics in Sc₂CO₂-based 2D metal-ferroelectric heterostructures

Area of Science:

• Materials Science
• Condensed Matter Physics
• Nanotechnology

Background:

• Two-dimensional (2D) monolayer Sc₂CO₂ ferroelectric semiconductor materials are promising for high-performance electronics.
• Schottky barriers at electrode/Sc₂CO₂ interfaces impede charge injection efficiency.

Purpose of the Study:

• To utilize 2D metallic materials for van der Waals (vdW) contacts with Sc₂CO₂.
• To achieve reduced Fermi-level pinning and controllable Schottky-to-Ohmic contact transitions.

Main Methods:

• First-principles calculations to investigate polarization-mediated electronic properties.
• Systematic study of 2D metal/Sc₂CO₂ interfaces.

Main Results:

• Demonstrated controllable transition from Schottky to Ohmic contact by leveraging ferroelectric polarization reversal.
• Identified NbS₂/Sc₂CO₂ heterojunction, especially in upward polarization, as optimal due to high carrier tunneling probability.
• Showcased polarization-mediated electronic property modulation in 2D metal/Sc₂CO₂ heterostructures.

Conclusions:

• Findings are crucial for regulating Schottky barriers in 2D metal/ferroelectric semiconductor heterostructures.
• Provides theoretical guidance for designing high-performance field-effect transistors using 2D metal/Sc₂CO₂ vdW heterostructures.