First-Principles Study on Graphene/Hexagonal Boron Nitride Heterostructures

Abstract

This article reviews recent progresses in first-principles studies on graphene/hexagonal boron nitride (h-BN) heterostructures. The experimental demonstration of the usefulness of hexagonal boron nitride as a substrate for graphene devices has attracted considerable interest of graphene/h-BN heterostructure systems. More complicated graphene/h-BN heterostructures have also been fabricated in recent years. In parallel with the experimental progress, first-principles studies have also revealed interesting properties of these heterostructures. The structural and electronic properties of the graphene/h-BN heterostructures are discussed here based on the recent first-principles results.