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The Magnetic Structure of Cu0.2Ni0.8 Alloys

Published online by Cambridge University Press:  10 February 2011

Yang Wang ,
G. M. Stocks ,
D. M. C. Nicholson ,
W. A. Shelton ,
Z. Szotek  and
W. M. Temmerman
Yang Wang
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
G. M. Stocks
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
D. M. C. Nicholson
Affiliation:
Computational Physics and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
W. A. Shelton
Affiliation:
Engineering Physics and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831
Z. Szotek
Affiliation:
SERC, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.
W. M. Temmerman
Affiliation:
SERC, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.
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Abstract

The locally self-consistent multiple scattering method is applied to ab initio spin-polarized local density approximation calculations for ferromagnetic CuNi alloys. The samples used to model the alloys are constructed with experimentally measured short range order parameters. These large cell calculations are performed using the Intel Paragon XP/S massively parallel processing supercomputer. The neutron magnetic diffuse scattering cross sections are calculated and compared with experiment. The dependence of magnetic moment formation on the local environment is discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 585
Copyright
Copyright © Materials Research Society 1996

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