Dresden 2003 – wissenschaftliches Programm
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MA: Magnetismus
MA 30: Spinabh
ängige Transportph
änomene II
MA 30.5: Vortrag
Freitag, 28. März 2003, 11:45–12:00, HSZ/401
Stability and transport of nanocontacts: Ab initio description — •Ingrid Mertig1, Alexej Bagrets1,2, Nikos Papanikolaou1, Michael Czerner1, Valeri Stepanyuk2, Artjom Baranov1, Andrej Klavsyuk1, and Wolfram Hergert1 — 1Martin-Luther-Universität Halle, Fachbereich Physik, D-06099 Halle, Germany — 2Max-Planck-Institut für Mikrostrukturphysik, D-06120 Halle, Germany
We present ab initio calculations of the transport properties of metallic atomic-sized nanocontacts. The nanocontacts were modelled by atomic chains of Co, Fe, Cu, Si, Al separating two semi-infinite Cu- or Co-leads. The atomic positions of the atoms in the chains were relaxed. Stability of the wires is discussed with respect to the electronic structure of the system. We used the first-principle screened Korringa-Kohn-Rostoker method to calculate the electronic properties of the systems, treating the leads and atomic chains on the same footing without any model parameters. The Landauer formalism was applied to investigate the conductance and magnetoresistance (MR).