| AVS 58th Annual International Symposium and Exhibition | |
| Graphene and Related Materials Focus Topic | Tuesday Sessions |
| Session GR+MI-TuA |
| Session: | Graphene: Magnetic Properties and Spin-Dependent Phenomena |
| Presenter: | Ivan Oleynik, University of South Florida |
| Authors: | I.I. Oleynik, University of South Florida L. Adamska, University of South Florida Y. Lin, University of South Florida A. Ross, Saint Anselm College M. Batzill, University of South Florida |
| Correspondent: | Click to Email |
Metal/graphene interfaces play an important role in both surface science studies of the epitaxial growth of graphene on metallic substrates, as well as in metal/graphene contacts in graphene nanoelectronic devices. We present results of first-principles density functional theory (DFT) investigations of structural, electronic, and magnetic properties for graphene/Ni(111) and graphene/Cu(111) interfaces relevant to experimental studies of graphene growth on metallic substrates. The favored interface geometries and binding sites for different interface configurations were identified. Additional adlayers of Ni and Cu were either adsorbed on top of the graphene/metal interface, or placed between the graphene and substrate to model processes of metal intercalation. It was also found that the interaction between graphene/Ni(111) and the top Cu adlayer is much weaker compared to that for a Ni adlayer. The atomic, electronic, and magnetic properties of these interfaces, including induced magnetic moments in graphene/Ni(111), Ni/graphene/Ni(111) systems, are also discussed.