Dresden 2006 – scientific programme

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MA: Magnetismus

MA 37: Molecular Magnetism

MA 37.5: Talk

Friday, March 31, 2006, 11:45–12:00, HSZ 403

Spin-dependent transport through half-metallic organometallic wires — •V. Maslyuk¹, A. Bagrets^1,2, T. Bredow³, M. Brandbyge⁴, and I. Mertig¹ — ¹Martin-Luther-Universit∖No-dqat Halle-Wittenberg, Fachbereich Physik, Germany — ²Institut f∖No-dqur Nanotechnologie, Forschungszentrum Karlsruhe, Germany — ³Institut f∖No-dqur Theoretische Chemie, Universit∖No-dqat Hannover, Germany — ⁴Department of Micro and Nanotechnology, Technical University of Denmark, Denmark

During the last years, molecular magnets have been attracting enormous attention, since they are candidates for future applications in high-density information storage and quantum computers. Here, we present a first class of magnetic one-dimensional organometallic systems which show half-metallic behaviour and can be synthesized [1]. These systems are Met-C$_6$H$_6$ multi-decker clusters, with Met=V, Mn and Co [2]. Theoretical investigations of the transport properties of such organometallic wires are presented. The conductance and the electronic structure of the molecular wires were calculated by means of a LCAO method based on density functional theory combined with non-equilibrium Greens functions [3]. A detailed analysis of electronic, magnetic and transport properties is given. A large spin-polarization of the electron current is predicted. Furthermore, the influence of the small molecules, H$_2$, N$_2$, O$_2$ and CO, on the transport properties of organometallic wires is discussed.

[1] K.Miyajima, ∖textit{et al.},Eur.Phys.J.D {∖bf 34},177(2005) [2] V.V.Maslyuk, ∖textit{et al.},[cond-mat/0510144]. [3] M.Brandbyge, ∖textit{et al.}, PRB {∖bf 65}, 165401(2002).