Article
Theoretical study of the environmental effects on the hyperfine fields of Ni and Fe in Ni0.75Fe0.25
Solid State Communications
(1987)
Abstract
The dependence of the hyperfine fields Bhf of Ni and Fe in Ni0.75Fe0.25 on the surrounding atomic configuration has been studied by performing charge selfconsistent 6 shell-cluster Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) bandstructure calculations. By replacing the CPA- scatterers in the various shells around the central atom by Ni - or Fe-atoms, respectively, it could be shown that the hyperfine fields vary linearly with the number of Fe-atoms within a given shell and that the changes of Bhf due to simultaneous changes of the atomic configurations of different shells are additive. The changes of the hyperfine fields upon ordering of Ni0.75Fe0.25 solid solution as deduced from our calculations agrees reasonably well with experiments.
Disciplines
Publication Date
November, 1987
Publisher Statement
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.
Citation Information
H. Ebert, H. Winter, B. Gyorffy, Duane D. Johnson, et al.. "Theoretical study of the environmental effects on the hyperfine fields of Ni and Fe in Ni0.75Fe0.25" Solid State Communications Vol. 64 Iss. 7 (1987) Available at: http://works.bepress.com/duane_johnson/96/