Intrinsic half-metallicity in modified graphene nanoribbons.

We perform first-principles calculations based on density functional theory to study quasi-one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons of various widths with chemical dopants, boron and nitrogen, keeping the whole system isoelectronic. The gradual increase in doping concentration takes the system finally to zigzag boron nitride nanoribbons (ZBNNRs). Our study reveals that for all doping concentrations the systems stabilize in antiferromagnetic ground states.