Ab intio calculation of the Transmission Coefficients from a Superlattice electronic structure

Abstract

A new 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 stucture of such a superlattice is calculated selfconsistently within a Screened Korringa-Kohn-Rostoker method. The capability of the new method is demonstrated by means of a free electron model. First results for the transmission of Cu electrons through a Co layer are presented.