Dresden 2017 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 88: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - VI

O 88.13: Vortrag

Donnerstag, 23. März 2017, 13:30–13:45, GER 38

Magnetic response properties of thin films using Kubo’s linear response formalism — •Andreas Held, Sebastian Wimmer, Sergiy Mankovsky, and Hubert Ebert — Department Chemie, Ludwig-Maximilians-Universität München

We have applied the fully relativistic spin-polarized Korringa-Kohn-Rostoker method to investigate various magnetic response properties of two-dimensional systems such as free-standing mono- and multilayers, surfaces and thin films on surfaces. Our approach is based on an implementation of Kubo’s linear response formalism within the tight-binding (or screened) KKR framework that allows introducing layer-resolved response coefficients τijIJ. Extending previous work [1] focusing on the symmetric part of the electrical conductivity tensor, we are able to describe the full response tensors connected to charge and spin transport, Gilbert damping, spin-orbit torque and the Edelstein effect. An implementation of the Coherent Potential Approximation for layered systems allows the treatment of disorder effects including the Vertex Corrections to the response coefficients [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 employed to treat vibrations and spin fluctuations.

[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).

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