Electronic structure of atomic Ti chains on semiconducting graphene nanoribbons: A first-principles study

Abstract

The electronic and magnetic properties of one-dimensional titanium chains adsorbed on semiconducting armchair graphene nanoribbons (GNRs) are studied using the density functional theory. The results show that the strong hybridization between the titanium chain and the GNR gives rise to ferromagnetism and metallicity of the adsorption system. The electronic structure of the adsorption system is found to depend strongly on the width of the GNR. The adsorption system may offer half-metallic ferromagnetism when the width of GNR is less than 2.1nm, implying a new and promising way to realize GNR based spintronics.