Ab initio calculation of the transmission coefficients from a superlatticeelectronic structure - art. no. 195403

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. Th e barrier B is arbitrary, and can be metallic, semiconducting, or insulatin g. The important feature of this formalism is that it starts from the elect ronic structure of a periodic L/B superlattice. The electronic structure of such a superlattice is calculated self-consistently within a screened Korr inga-Kohn-Rostoker method. The capability of this method is demonstrated by means of a free-electron model. Results for the transmission of Cu electro ns through a Co layer are presented.