Dresden 2011 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 37: Joint Focussed Session: Theory and Computation of Electronic Structure: New Frontiers II

HL 37.4: Vortrag

Dienstag, 15. März 2011, 12:15–12:30, TRE Phy

Ab-initio description of spin-dependent transport in disordered alloys — •Diemo Ködderitzsch, Stephan Lowitzer, and Hubert Ebert — Ludwig-Maximilians-Universität München, Department Chemie und Biochemie, Physikalische Chemie, Butenandtstraße 11, D-81377 München, Germany

Spin-orbit induced couplings are the source of many interesting physical phenomena like the anomalous- and spin-Hall-effects (AHE, SHE), which recently received a lot of attention due to their potential application in the field of spintronics. During the last years several theoretical works have dealt with the intrinsic AHE and SHE, based on the band structure of pure materials and only few of them use a parameter free ab initio approach.

We present a coherent ab initio description of both, the AHE and SHE, that is applicable to pure and disordered alloys by treating all sources, i.e. intrinsic as well as extrinisic contributions, on equal footing. We use an implementation of the Kubo-Středa equation employing the fully relativistic Korringa-Kohn-Rostoker (KKR) Green’s function method in conjunction with the Coherent Potential Approximation (CPA) alloy theory. For discussing spin currents we employ our recently devised relativistic spin projection scheme [1] and a corresponding generalization of the Kubo-Středa equation. We illustrate the power and versatility of the approach by giving several examples.

[1] S. Lowitzer, D. Ködderitzsch and H. Ebert, Phys. Rev. B 82, 140402(R) (2010).