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MA: Magnetismus

MA 26: Electron Theory

MA 26.3: Talk

Thursday, March 30, 2006, 10:45–11:00, HSZ 401

Fully relativistic one-step theory of ultraviolet (inverse) photoemission for correlated systems: Application to ferromagnetic Ni and Fe. — •Jürgen Braun, Jan Minar, and Hubert Ebert — Department Chemie/Phys. Chemie, Ludwig-Maximilians-Universität München, Butenandt Str. 11, 81377 München

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, we derive an explicit expression for the spin-polarized photocurrent. The theory is formulated within a fully relativistic framework for a general nonlocal and space-filling, complex and energy-dependent self-energy which is based on a self-consistent DFT-DMFT calculation. Using the relativistic version of the layer-dependent Korringa-Kohn-Rostocker (KKR) multiple scattering formalism, the theory applies to semi-infinite lattices with perfect lateral translational invariance and arbitrary number of atoms per unit cell. Here, we present a quantitative analysis of experimental photoemission data from ferromagnetic Ni and Fe.