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

Phys. Rev. B 63, 195403 – Published 9 April 2001
Ingmar Riedel, Peter Zahn, and Ingrid Mertig

Abstract

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.

DOI: http://dx.doi.org/10.1103/PhysRevB.63.195403

  • Received 27 October 2000
  • Published 9 April 2001

© 2001 The American Physical Society

Authors & Affiliations

Ingmar Riedel, Peter Zahn, and Ingrid Mertig

  • Institut für Theoretische Physik, Technische Universität Dresden, D-01062 Dresden, Germany

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