Theoretical description of the magneto-optical properties of arbitrary layered systems

H. Ebert*, A.Perlov**, and T. Huhne*

* Institut für Physikalische Chemie, Universität München, Butenandtstr. 5-13, D-81377 München
** Institute of Metal Physics, 36 Vernadskii str., 252142 Kiev, Ukraine

The calculation of the optical properties of ordered solids can nowadays be done in a more or less routine way. Even the magneto-optical effects caused by the interplay of magnetism and spin-orbit coupling can be investigated in a quantitative way by using modern methods of band structure calculation. However the interpretation of the corresponding magneto-optical spectra is by no means straightforward. In addition there are still several important classes of materials that are not accessible to ab initio type investigations.

To allow for a detailed analysis of the magneto-optical properties of periodic magnetic multi layer systems the concept of the layer resolved optical conductivity sIJ(w) applied by means of a conventional band structure method is introduced in the first part of the talk. It will be shown that the layer projected optical conductivity sI(w) of an atomic layer is influenced by only very few neighboring layers. This property can be exploited within the Baukasten principle that aims to predict the magneto-optical properties of a complex layer system from the properties calculated for a closely related but simpler one.

In the second part of the talk a more general scheme will be introduced that allows to define the frequency-dependent optical conductivity tensor for arbitrary layered systems in a layer-resolved way. This opens in particular the way to deal with the magneto-optical properties of magnetic surface layer systems and to calculate the corresponding magneto-optical Kerr spectra. The formalism, based on a fully relativistic description of response theory in arbitrary order, will be described in some detail. For an implementation the very flexible spin polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR) method of band structure calculation has been used. This allows in particular to deal with disordered systems. First results for various systems will be presented.