Spin-polarized KKR-CPA calculations for ferromagnetic CuNi alloys
Book
·
OSTI ID:72398
- Oak Ridge National Lab., TN (United States)
Ab initio electronic structure calculations of ferromagnetic copper-nickel alloys are carried out using the self-consistent-field Korringa-Kohn-Rostoker coherent potential approximation (SCF-KKR-CPA) method. The calculated lattice constants and magnetic moments of the alloy are in good agreement with the experimental results. It is also shown that the calculation is scalable with respect to the energy mesh and can be efficiently implemented on a massively parallel supercomputer.
- DOE Contract Number:
- AC05-84OR21400
- OSTI ID:
- 72398
- Report Number(s):
- CONF-9310224--; ISBN 0-87339-249-3
- Country of Publication:
- United States
- Language:
- English
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