Abstract
A fully relativistic scheme is presented that allows one to deal with the electronic band structure of a solid and the influence of the electron core-hole interaction on its x-ray absorption spectra on the same level. This is achieved in a parameter-free way by working throughout in the framework of the time-dependent density functional theory and linear response formalism. Application to the -absorption spectra of transition metals demonstrates that the electron core-hole interaction intermixes the and partial spectra, strongly affecting the so-called branching ratio. The consequences of this for the magnetic circular x-ray dichroism sum rules are discussed.
- Received 1 December 1997
DOI:https://doi.org/10.1103/PhysRevLett.80.4586
©1998 American Physical Society