ABSTRACT
In this chapter, we discuss how to treat XMCD spectra for solids from first-
principles by employing density functional theory (DFT). We will first introduce
the reader to the basics of DFT as well as to the linearized augmented plane wave
(LAPW) method, which is our method of choice to solve the corresponding single-
particle equations. Thereafter, we will describe how to obtain the scattering cross
section within Fermi’s golden rule, and how this approach has been incorporated
into the LAPW method. Finally, we will give results for the transition metals iron,
cobalt, and nickel. We will compare the XMCD spectra with experiment and show
the impact of many-body effects as obtained within three-body scattering theory.
