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Theoretical Study Of The Hyperfine Fields Of Ni And Fe In Fcc Ni,Fe, Alloys, H. Ebert, H. Winter, B. L. Gyorffy, Duane D. Johnson, F. J. Pinski
Theoretical Study Of The Hyperfine Fields Of Ni And Fe In Fcc Ni,Fe, Alloys, H. Ebert, H. Winter, B. L. Gyorffy, Duane D. Johnson, F. J. Pinski
Duane D. Johnson
Using charge self-consistent cluster Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) band-structure calculations, the authors have studied the hyperfine fields on both Ni and Fe sites in the NixFe1-x alloys. To elucidate the influence of relativistic effects the hyperfine matrix elements have been calculated nonrelativistically as well as completely relativistically The dependence of the hyperfine fields on the environment of a given site has been studied by performing calculations for various atomic configurations around that site. The results of the work are compared with other theoretical data and with experiment.