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Ab Initio-Calculations of Residual Resistivities For Dilute Ni-Alloys

Published online by Cambridge University Press:  25 February 2011

I. Mertig ,
R. Zeller  and
P.H. Dederichs
I. Mertig
Affiliation:
Technische Universität Dresden, Institut für Theoretische Physik, Mommsenstr. 13, 0-8027 Dresden, Germany
R. Zeller
Affiliation:
Institut für Festkörperforschung der Kernforschungsanlage Jülich, D-5170 Jülich, Germany
P.H. Dederichs
Affiliation:
Institut für Festkörperforschung der Kernforschungsanlage Jülich, D-5170 Jülich, Germany
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Abstract

We report about residual resistivity calculations for dilute Ni alloys which are based on density-functional theory and the Korringa-Kohn-Rostoker Green's-function method. The transport is described quasiclassically by means of the Boltzmann equation using a two current model for the ferromagnetic host. In particular we consider 3d, 4d, 4sp and 5sp impurities in Ni and include in addition to the impurity atom one shell of perturbed host atoms in the calculation. For the residual resistivity satisfactory agreement with the experiments is obtained in practically all cases. We clarify the role of both subbands for the transport properties.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 253: Symposium V – Application of Multiple Scattering Theory to Materials Science , 1991 , 249
Copyright
Copyright © Materials Research Society 1992

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References

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