By means of atomistic first principles calculations we have undertaken a structural, electronic and magnetic study of Fe/Gr/Co/Ir(111) hybrid graphene/magnetic structure using SIESTA DFT package. These kind of materials play a fundamental role in emerging graphene spintronic technologies such as those based in room-temperature long-spin lifetimes or tunnel magneto-resistance. The Fe-to-Graphene/Co/Ir binding mechanisms were investigated via the adsorption energy, charge transfer, density of states, and hybridisation analysis. We show theoretically that a strong perpendicular antiferromagnetic coupling can be established in ultrathin-film structures such as Fe/Gr/Co on Ir(111). To this respect Graphene acts not only as a mere spacer but has a direct role in sustaining antiferromagnetic super exchange-coupling between the Fe and Co magnetic layers by means of the hybridisation between Co-3d and Gr’s pz states. In addition, the calculated magnetocrystalline anisotropy values are in good agreement with the experiments.

The ICN2 is funded by the CERCA programme/Generalitat de Catalunya. The ICN2 is supported by the Severo Ochoa programme of the Spanish Ministry of Economy, Industry and Competitiveness (MINECO, grant no. SEV-2013-0295). RC also acknowledges the funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodoswa-Curie grant agreement no. 665919.

Resumen del póster presentado al 1st Workshop Spain-Taiwan: "2D Materials and Interfaces for Spintronics", celebrado en Barcelona (España) del 23 al 25 de octubre de 2017.

Peer reviewed