Edge effects in Bilayer Graphene Nanoribbons

TL;DR

This study uses ab initio density functional theory to analyze the magnetic and electronic properties of zigzag bilayer graphene nanoribbons, revealing a non-magnetic ground state with a width-dependent energy gap.

Contribution

It provides the first detailed ab initio investigation of edge effects and electronic properties in zigzag bilayer graphene nanoribbons.

Findings

Ground state is non-magnetic.

Energy gap varies non-monotonically with width.

Edge interactions strongly influence electronic properties.

Abstract

We show that the ground state of zigzag bilayer graphene nanoribbons is non-magnetic. It also possesses a finite gap, which has a non-monotonic dependence with the width as a consequence of the competition between bulk and strongly attractive edge interactions. All results were obtained using {ab initio} total energy density functional theory calculations with the inclusion of parametrized van der Waals interactions.