Berlin 2005 – scientific programme
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MA: Magnetismus
MA 17: Spinabh
ängiger Transport II
MA 17.6: Talk
Monday, March 7, 2005, 11:45–12:00, TU H1012
Transport in nanowires: An ab initio describtion — •Michael Czerner1, Alexej Bagrets1, Valeri Stepanyuk1,2, Andrey Klavsyuk1, and Ingrid Mertig1 — 1Martin Luther University Halle-Wittenberg, Department of Physics, Von-Seckendorff-Platz 1, 06120 Halle, Germany — 2Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle, Germany
We present ab-initio calculations of the tranport properties of metallic atomic-sized nanowires. The nanowires were modelled by atomic chains of Cu, Co and Al suspended between two semi-infinite leads of the same material. 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 geometrical structure of the atomic chains was relaxed using ab initio based many body potentials. The Landauer formalism was applied to investigate the conductance. Quantum size effects,the influence of relaxation and the channel decomposition of the conductance is discussed in detail.