Regensburg 2013 – scientific programme
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O: Fachverband Oberflächenphysik
O 40: Spin Effects in Molecules at Surfaces (jointly with DS, MA)
O 40.6: Talk
Wednesday, March 13, 2013, 11:00–11:15, H23
Magnetic coupling of Cobaltocene on magnetic surfaces through a graphene layer — •Simone Marocchi1,2, Paolo Ferriani3, Stefan Heinze3, Franca Manghi1,2, and Valerio Bellini2,4 — 1University of Modena and Reggio Emilia, Modena, Italy — 2CNR Istituto di Nanoscienze S3, Modena, Italy — 3Institute of Theoretical Physics and Astrophysics, Kiel, Germany — 4CNR Istituto di Struttura della Materia, Trieste, Italy
The ability to improve the current electronic devices appear to be increasingly connected with the development of the molecule-based electronics [1] and spintronics [2]. We have concentrated our study, employing state-of-the-art density functional theory calculations, on the structural and magnetic properties of the Cobaltocene (CoCp2) adsorbed on graphene deposited on slab of Ni(111). This molecule has been chosen because of its electronic structure rather unique among the metallocenes [3]. In several article has been pointed also out that graphene on Nickel (111) has mainly two energetically favored adsorption modes, namely top-fcc and bridge-top [4]. We will show how the magnitude of the magnetic coupling is drastically influenced by the structural factors named above and may vary by tens of meV. We further show how this coupling could be tuned by the intercalation of a magnetic monolayer, e.g. Fe and Co, between graphene and the Ni subtrate, and discuss the role of the graphene layer.
[1] X. Y. Zhu, Surf. Sci. Rep. 56, 1 (2004). [2] S. Sanvito, Chem. Soc. Rev. 40, 3336 (2011). [3] Y. Li, et al., Phys. Rev. B 83, 195443 (2011). [4] W. Zhao, et al., J. Phys. Chem. Lett. 2, 759 (2011).