Strain-tunable spin moment in Ni-doped graphene

Graphene, due to its exceptional properties, is a promising material for nanotechnology applications. In this context, the ability to tune the properties of graphene-based materials and devices with the incorporation of defects and impurities can be of extraordinary importance. Here, we investigate the effect of uniaxial tensile strain on the electronic and magnetic properties of graphene doped with substitutional Ni impurities (Ni sub). We have found that, although Ni sub defects are nonmagnetic in the relaxed layer, uniaxial strain induces a spin moment in the system. The spin moment increases with the applied strain up to values of 0.3-0.4 ο B per Ni sub, until a critical strain of ∿6.5% is reached. At this point, a sharp transition to a high-spin state (∿1.9 ο B) is observed. This magnetoelastic effect could be utilized to design strain-tunable spin devices based on Ni-doped graphene. 2011 American Chemical Society.We acknowledge support from Basque Departamento de Educacion and the UPV/EHU (Grant No. IT-366-07), the Spanish Ministerio de Educación y Ciencia (Grant No. FIS2010-19609-CO2-02), and the ETORTEK program funded by the Basque Departamento de Industria and the Diputacion Foral de Guipuzcoa.Peer Reviewe