Dresden 2011 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 59: Spin Excitations II/ Spin Scattering

MA 59.8: Vortrag

Donnerstag, 17. März 2011, 19:00–19:15, HSZ 04

spin-orbit scattering in molecular transport — •pengxiang xu and daniel wortmann — Peter Grünberg Institut & Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany

While many molecules considered for molecular transport devices contain only light elements and therefore the spin-orbit interaction generally plays not important role in these junctions, the use of heavier elements in molecules proposed for magnetic transport setups can lead to interesting behavior in spin-polarized transport due to the coupling of the spins to the electric polarization of the molecule.

Applying ab-initio density functional theory in the framework of the linearized-augmented plane-wave method [1] and the Green function formalism for transport, we study some model systems with different magnetization states (collinear/non-collinear) and molecular dipole moment. We report on our investigations of transport through molecules with transition-metal centers and demonstrate the influence of the spin-orbit coupling on the transmission properties of the molecule.

This work is supported by DFG priority program 1243.

[1]http://www.flapw.de