Abstract
In this article, we briefly summarize our results gained from recent density functional theory simulations aimed to investigate the interaction between organic materials containing π-electrons (i. e., several benzene-like molecules and graphene) with ferromagnetic surfaces. We show how the strong hybridization between the pz -electrons that initially form the π molecular orbitals with the magnetic d-states of the metal influences the spin polarization, the magnetic exchange coupling, and the magnetization direction at hybrid organic-ferromagnetic interface. From a practical perspective, these properties play a very important role for device applications based on organic materials and magnetic surfaces.
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