Publications in Scientific Journals:
K. Palotás, B. Lazarovits, L. Szunyogh, P. Weinberger:
"Ab initio studies of electric transport in terms of the real space Kubo-Greenwood equation";
Physical Review B,
We propose a method suitable to describe electrical transport properties of nanostructures. In this approach
a Green´s function embedding technique based on the fully relativistic spin-polarized Korringa-Kohn-Rostoker
method and the coherent potential approximation is combined with a real-space formulation of the Kubo-
Greenwood equation. We present calculations for the Ag~100! surface, Ag bulk, two types of CuPt bulk alloys
in the ``large cluster´´ limit as well as finite Fe and Co chains embedded into the surface layer of Ag~100! in
order to illustrate the reliability and applicability of this approach.
DOI: 10.1103/PhysRevB.67.174404 PACS number~s!: 75.30.Gw, 75.70.Ak, 75.70.Cn
Online library catalogue of the TU Vienna:
Electronic version of the publication:
Created from the Publication Database of the Vienna University of Technology.