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DS: Fachverband Dünne Schichten
DS 33: Frontiers of Electronic Structure Theory
(Joint session of DS and O, organized by DS)
DS 33.3: Talk
Wednesday, March 9, 2016, 12:30–12:45, H11
Charge and spin transport in two-dimensional systems using the KKR-CPA-Kubo approach — •S. Wimmer, K. Chadova, S. Bornemann, D. Ködderitzsch, and H. Ebert — Department Chemie, Ludwig-Maximilians-Universität München
We have applied the fully relativistic spin-polarized Korringa-Kohn-Rostoker method to investigate charge and spin transport properties of various two-dimensional systems such as mono- and multilayers, surfaces and thin films on surfaces. Our theoretical approach is based on the linear response Kubo formalism that allows introducing a layer-resolved conductivity σIJ [1] and that has been extended to the fully relativistic case. An implementation of the Coherent Potential Approximation for layered systems allows the treatment of disorder effects including the Vertex Corrections to the conductivity [2]. This can be used to study chemical disorder in alloys but also to include the effect of finite temperatures. For the latter the so-called Alloy-Analogy Model [3] is enployed to treat vibrations and spin fluctuations. Besides convergence tests on simple homogeneous systems the approach has been applied, e.g., to the Fen/GaAs(001) metal/semiconductor surface system, the topological insulator surfaces Bi2X3(111) (X = Se, Te, and Se1−xTex), and, using a generalization of the Mott formula for thermoelectric transport [4], also to spincaloritronic transport.
[1] W.H. Butler et al., Phys. Rev. B 52, 13399 (1995). [2] W.H. Butler, Phys. Rev. B 31, 3260 (1985); K. Palotás et al., Phys. Rev. B 67, 174404 (2003). [3] H. Ebert et al., Phys. Rev. B 91, 165132 (2015). [4] M. Jonson and G.D. Mahan, Phys. Rev. B 21, 4223 (1980).