Impurity induced spin gap asymmetry in nanoscale graphene

TL;DR

This paper demonstrates how nitrogen doping at specific edges of nanoscale graphene can induce spin gap asymmetry, enabling control over its electronic and magnetic properties for potential nanoelectronic and spintronic applications.

Contribution

It introduces a novel method of chemical doping to manipulate the bandgap and magnetic properties of graphene, including the realization of spin gap asymmetry and half-metallicity.

Findings

Nitrogen doping breaks sublattice symmetry and opens a spin-dependent bandgap.

Doping creates impurity levels that reduce the overall bandgap.

Graphene exhibits diode-like current-voltage behavior due to spin-selective conduction.

Abstract

We propose a unique way to control both bandgap and the magnetic properties of nanoscale graphene, which might prove highly beneficial for application in nanoelectronic and spintronic devices. We have shown that chemical doping by nitrogen along a single zigzag edge breaks the sublattice symmetry of graphene. This leads to the opening of a gap and a shift of the molecular orbitals localized on the doped edge in such a way that the spin gap asymmetry, which can lead to half-metallicity under certain conditions, is obtained. The spin-selective behavior of graphene and tunable spin gaps help us to obtain semiconductor diode-like current-voltage characteristics, where the current flowing in one direction is preferred over the other. The doping in the middle of the graphene layer results in an impurity level between the HOMO and LUMO orbitals of pure graphene (again, much like in semiconductor systems) localized on the zigzag edges thus decreasing the bandgap and adding unpaired electrons, and this can also be used to control graphene conductivity.