The discrete variational method and the local exchange approximation were used to calculate the electronic structure of 19 atom embedded clusters representing Fe-Ni alloys of fcc structure. Magnetic moments and hyperfine fields were derived from the calculations and compared to experiment. We find that the observed reduction of Hc compared to pure iron is not due to reduced Fe moments, but instead due to a change of sign of the conduction electron (4s) contributions.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics