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Ground State Properties And Magnetism In Substitutionally Disordered Fe1-xCrx Alloys

Published online by Cambridge University Press:  28 February 2011

W. A. Shelton Jr ,
F. J. Pinski ,
D. D. Johnson ,
D. M. Nicholson  and
G. M. Stocks
W. A. Shelton Jr
Affiliation:
Oak Ridge National Laboratory, Oak Ridge, TN 37831-6114
F. J. Pinski
Affiliation:
University of Cincinnati, Cincinnati, OH 45221-011
D. D. Johnson
Affiliation:
Sandia National Laboratory, Division 8341 Livermore, CA 94451
D. M. Nicholson
Affiliation:
Oak Ridge National Laboratory, Oak Ridge, TN 37831-6114
G. M. Stocks
Affiliation:
Oak Ridge National Laboratory, Oak Ridge, TN 37831-6114
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Abstract

We have performed calculations of the electronic structure of the random substitutional bcc Fe1-xCrx alloys, using the spin-polarized, self-consistent Korringa, Kohn and Rostoker coherent potential approximation (KKR-CPA) method. This is a first principles method based on a local spin density approximation for electron exchange and correlation energy. For the iron-rich alloys, we find that the average moment decreases linearly with Cr concentration, although the individual moments show a different concentration dependence and the Cr moment is anti-parallel to the Fe moment. This system is similar to Fe1-xVx system, although some details are different.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 186: Symposium I – Alloy Phase Stability and Design , 1990 , 27
Copyright
Copyright © Materials Research Society 1991

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