Stacking and electric field effects on the electronic properties of the layered GaN

TL;DR

This study uses density functional theory to explore how stacking arrangements and electric fields influence the electronic properties of layered GaN, revealing potential for tunable electronic applications.

Contribution

It demonstrates that stacking order affects band gap tunability in layered GaN under electric fields, a novel insight for device engineering.

Findings

Ground state of layered GaN is planar, similar to graphene.

Electric field can significantly reduce the band gap in trilayer GaN.

Band gap tunability depends on stacking configuration.

Abstract

Stability and electronic properties of atomic layers of GaN are investigated in the framework of the van der Waals-density functional theory. We find that the ground state of the layered GaN is a planar graphene-like configuration rather than a buckled bulk-like configuration. Application of an external perpendicular electric field to the layered GaN induces distinct stacking-dependent features of the tunability of the band gap; the band gap of the monolayer does not change whereas that of the trilayer GaN is significantly reduced for the applied field of 0.4 V/ {\AA}. It is suggested that such a stacking-dependent tunability of the band gap in the presence of an applied field may lead to novel applications of the devices based on the layered GaN.