Theory and synthesis of bilayer graphene intercalated with ICl and IBr for low power device applications

TL;DR

This paper investigates the structural and electronic properties of bilayer graphene intercalated with ICl and IBr using DFT, exploring their potential for ultra-low power electronic devices like BiSFETs.

Contribution

It provides detailed structural and electronic analysis of ICl and IBr intercalated graphene, combining theoretical DFT studies with experimental synthesis and characterization.

Findings

Intercalants dope the graphene layers.

Interlayer electronic coupling is reduced but not eliminated.

Experimental synthesis of ICl-GIC was successful.

Abstract

Graphene intercalation materials are potentially promising for the implementation of the ultra-low power, excitonic-condensate-based Bilayer pseudoSpin Field-Effect Transistor (BiSFET) concept, as well as other novel device concepts requiring a graphene interlayer dielectric. Using density functional theory (DFT) we study the structural and electronic properties of bilayer graphene intercalated with iodine monochloride (ICl) and iodine monobromide (IBr). We determine the structural configuration of ICl and IBr graphene intercalation compounds (GICs). We also conduct an in-depth exploration of inter-layer electronic coupling, using \textit{ab initio} calculations. The presence of intercalants dopes the graphene layer. It also reduces, but does not eliminate, the electronic coupling between graphene layers, which may enable BiSFET operation. In addition, we present experimental results for ICl-GIC synthesis and characterization.