Real-space angle-resolved photoemission

A real-space semirelativistic angle-resolved photoemission code has been developed in the independent particle approximation. The method is formulated in terms of the multiple-scattering theory using a real-space representation of the Green's function. The advantage of this approach is in the simplification of the study of complex solids. The Green's functions are calculated in the following two ways. The first is a real-space cluster method. This method is simple at the expense of accuracy due to finite size. The other approach combines a two-dimensional periodic representation in reciprocal space with one-dimensional real-space representation. This method is more accurate and can be applied to a variety of boundary conditions referring to bulk, surface, interface and grain boundary. We illustrate our approach by the example of an angle-resolved photoemission study of Cu.