Electron transport through nanoscale multilayer graphene and hexagonal boron nitride junctions

Area of Science:

• Condensed Matter Physics
• Materials Science
• Nanotechnology

Background:

• Understanding electron transport in layered nanomaterials is crucial for developing advanced electronic devices.
• Graphene and hexagonal boron nitride (h-BN) are promising 2D materials with distinct electronic properties.

Purpose of the Study:

• To compare electron transport perpendicular to the layers in multilayer nanoscale graphene and h-BN.
• To investigate the impact of defects, such as nitrogen doping and Stone-Wales defects, on electron transport.
• To evaluate the current filtering capabilities of h-BN.

Main Methods:

• Density functional theory (DFT) combined with the non-equilibrium Green's function (NEGF) method.
• Calculations for multilayer structures ranging from one to six layers (0.5-3.0 nm thickness).
• Analysis of current decay with increasing layer thickness and defect incorporation.

Main Results:

• Nitrogen doping transforms graphene into a metal, while Stone-Wales defects open its bandgap.
• Stone-Wales defects also affect the electronic properties of h-BN.
• Electron transport decay rates were determined for different materials and defect configurations.

Conclusions:

• Electron transport at the nanoscale is sensitive to material choice, layer thickness, and structural defects.
• h-BN shows potential for current filtering applications.
• The study provides a foundation for controlling electron transport through chemical and structural modifications in layered nanomaterials.