Fully relativistic angle-resolved one-step theory of ultraviolet
(inverse) photoemission for general nonlocal potentials

Jürgen Braun

Physikalisches Institut, Westfälische-Wilhelms-Universität Münster, Wilhelm-Klemm-Str. 10, 48149 Münster, Germany

An improved formulation of the one-step model of photoemission from crystal surfaces is proposed which overcomes different limitations of the original theory. Considering the electronic one-particle potential and the many-body self-energy as given quantities an explicit expression for the spin-polarized photocurrent is presented. The theory is formulated within a fully relativistic framework for general nonlocal, complex and energy-dependent self-energies. Using the relativistic version of the layer-dependent Korringa-Kohn-Rostocker multiple scattering theory, it applies to semi-infinite complex solids with an arbitrary number of atoms per unit cell.