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Tight Binding KKR - Application to CoCu(001): Electronic Structure and Transport

Published online by Cambridge University Press:  15 February 2011

P. Zahn ,
I. Mertig ,
R. Zeller  and
P.H. Dederichs
P. Zahn
Affiliation:
Institut für Theoretische Physik, TU Dresden, D-01062 Dresden, Germany
I. Mertig
Affiliation:
Institut für Theoretische Physik, TU Dresden, D-01062 Dresden, Germany
R. Zeller
Affiliation:
IFF, Forschungszentrum Jülich, D-52425 Jülich, Germany
P.H. Dederichs
Affiliation:
IFF, Forschungszentrum Jülich, D-52425 Jülich, Germany
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Abstract

Starting from a tight binding formulation of the KKR (Korringa-Kohn-Rostocker) Green function method we developed a self consistent band structure code. By using a reference system containing repulsive muffin tin potentials we obtain structure constants which decay exponentially with distance. In the case of multilayered systems the numerical effort scales linearly with the number of monolayers in a unit cell. We report about calculations of CoCu(001) systems. With our method we are able to consider the electronic structure, the interlayer exchange coupling, and the transport properties (conductivity, giant magnetoresistance = GMR) on an equal footing.

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References

REFERENCES

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