Relativistic Green function theory of layer densities of states and photoemission from magnetic compounds

Abstract

To study the electronic structure of ferromagnetic crystalline compounds, their surfaces and adsorbed ultrathin films, a fully relativistic Green function formalism has been developed. For a semi-infinite system, which is described by a complex effective potential the single-particle Green function and thence the layer-, k/sub ///- and spin- or symmetry-resolved densities of states-at the surface and in the bulk-are obtained using a layer Korringa-Kohn-Rostoker method. This Green function-for quasi-hole states-is employed in a relativistic one-step model formalism to yield spin- and angle-resolved photoemission intensities.