First-principles study of two-dimensional gallium-nitrides on van der Waals epitaxial substrate

Abstract

The structural and electronic properties of two-dimensional gallium nitrides (2D GaNs) on a van der Waals (vdW) epitaxial substrate are investigated using first-principles calculations. We show that the structures and electronic properties of mono- and bilayer GaN are hardly affected when deposited on the vdW substrate comprising a graphene sheet placed on the GaN(0001) bulk surface. A weak attractive interaction is found to work between the 2D GaNs and vdW substrate, which is still sufficient to maintain the 2D GaNs on the substrate and could also be exploited to control their stability. The present findings demonstrate that the vdW substrate is propitious to grow and hold the 2D GaNs without altering their intrinsic properties, in contrast to previously examined metal substrates.

Review of photocathodes for electron beam sources in particle accelerators

“…Yayama et al grew 2D GaN on a thin graphene sheet, supported by bulk GaN. 155 The suggested growth method leads to 2D GaN possessing novel advanced electronic properties. The introduction of a thin graphene sheet could also reduce the high lattice mismatch between GaN and other substrates, such as the widely used Al 2 O 3 or Si.…”

Structures, properties and applications of two-dimensional metal nitrides: from nitride MXene to other metal nitrides

“…In addition to the hexagonal structure, other 2D planar porous structures of GaN containing octagonal and square membered rings have also been simulated to expand its research scope [260,261]. Firstprinciples and molecular dynamics simulations have been performed on pristine and defective 2D GaN to study its mechanical response under varying strains, external loads as well as different temperatures [262][263][264][265][266][267][268]. It was found that the presence of vacancy defects leads to a decrease in the fracture limit compared with the perfect GaN nanosheets [269][270][271].…”