Berlin 2012 – wissenschaftliches Programm

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KR: Fachgruppe Kristallographie

KR 5: Poster I – including Multiferroics (MA with DF, DS, KR, TT)

KR 5.62: Poster

Dienstag, 27. März 2012, 12:15–15:15, Poster A

Structural, electronic and transport properties of platinum-based chains: an ab initio study — •Ilia Sivkov, Kun Tao, and Valeri Stepanyuk — Max-Planck-Institut für Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

We have investigated the structural, electronic and magnetic properties of platinum-based chains. Both pure platinum chains and chains with 3d impurities have been considered. The calculations of these properties were performed using methods based on the density functional theory.We show that the magnetic anisotropy energy of such chains strongly depends both on their shape, and on the impurities involved. Furthermore, transport calculations based on the non-equilibrium Green's function formalism have been performed.