Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 108: Spin-Dependent Transport Phenomena II (organized by MA)

TT 108.5: Talk

Thursday, March 19, 2015, 16:00–16:15, H 0112

Electronic transport from ab-inito linear response – a generalized Kubo-Bastin approach — •Diemo Ködderitzsch, Kristina Chadova, and Hubert Ebert — Department Chemie, Ludwig-Maximilians-Universität, 81377 München, Germany

Starting from a Kubo-Bastin like linear response expression we present a general approach to describe various linear response phenomena from ab-inito. Within a fully relativistic KKR framework in a spin-density functional formulation we treat among other things the full (spin-) conductivity tensor including its antisymmetric components and thereby spin-orbit induced transverse transport phenomena like the spin- and anomalous Hall effects. Both Fermi-sea and Fermi-surface terms are described on the same footing. Employing the coherent potential approximation allows to treat, besides pure systems, disordered alloys through the whole concentration range. Within this approach intrinsic as well as extrinsic contributions are fully accounted for without any model assumptions. In this context the role of vertex corrections and their importance will be discussed. Applications to transition-metals and their alloys will be presented.