Dresden 2017 – wissenschaftliches Programm
HL 73: Electronic-Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - VI
HL 73.13: 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  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 . 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  is employed to treat vibrations and spin fluctuations.
 W.H. Butler et al., Phys. Rev. B 52, 13399 (1995).  W.H. Butler, Phys. Rev. B 31, 3260 (1985); K. Palotás et al., Phys. Rev. B 67, 174404 (2003).  H. Ebert et al., Phys. Rev. B 91, 165132 (2015).