The presented photoemission theory is a straightforward generalization of the recently developed relativistic one-step theory for space-filling cell potentials and serves as a general scheme for the interpretation of photoelectron spectra from ferromagnetic materials. We review the fundamental theoretical steps in calculating the spin-density matrix in the ferromagnetic case. The spin-polarized Dirac equation is solved for a space-filling cell potential by use of the relativistic phase-functional approach. Followed by the derivation of the spin-density matrix, we discuss the dipole operator in the presence of an effective magnetic field. This dynamical formulation allows us to take into account spin-orbit splitting and exchange interaction on the same level of accuracy, which, for example, is a basic requirement for the calculation of magnetic dichroic effects.

• Received 30 June 1995

DOI:https://doi.org/10.1103/PhysRevB.52.9564