Ab initio calculation of the transmission coefficients from a superlattice electronic structure

A formalism to calculate the transmission coefficient t of electrons from a material L into the same material L through a barrier B is presented. The barrier B is arbitrary, and can be metallic, semiconducting, or insulating. The important feature of this formalism is that it starts from the electronic structure of a periodic L/B superlattice. The electronic structure of such a superlattice is calculated self-consistently within a screened Korringa-Kohn-Rostoker method. The capability of this method is demonstrated by means of a free-electron model. Results for the transmission of Cu electrons through a Co layer are presented.