Regensburg 2013 – scientific programme

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MA: Fachverband Magnetismus

MA 23: Spin Effects in Molecules at Surfaces (jointly with DS,O)

MA 23.4: Talk

Wednesday, March 13, 2013, 10:15–10:30, H23

Interface magnetism of the phenalenyl based molecular dimer adsorbed on a ferromagnetic surface — •Nicolae Atodiresei, Vasile Caciuc, and Stefan Blügel — Peter Grünberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

Molecular based magnetic units represent a very exciting avenue in designing and building future data storage, sensing and computing multifunctional devices. The density functional theory (DFT) provides a framework that reliably describes the electronic properties of molecules adsorbed on magnetic surfaces which are an essential perquisite for the design an understanding of the functionality of hybrid organic molecular spintronic devices. We will present ab initio studies performed to understand the interaction of a phenalenyl (PLY) based molecular dimer with a ferromagnetic Co surface. Charge transfer and hybridization between the atomic p_z orbitals of the PLY with the d−orbitals of the Co atoms create new hybrid metal-organic interface states [1,2] that lead to a large interfacial magnetoresistance near room temperature as measured in experiments [3]. Furthermore, our studies demonstrate the decisive role played by the van der Waals interactions in correctly describing the interaction between aromatic PLY dimers and metallic surfaces.

[1] N. Atodiresei et al., Phys. Rev. Lett. 105, 066601 (2010).

[2] N. Atodiresei et al., Phys. Rev. B 84, 172402 (2011).

[3] K. V. Raman et al., accepted for publication in Nature (2012).