Self-consistent cluster calculations of local magnetic properties of Fe-Ni alloys

Diana Guenzburger; Donald E Ellis; J. A. Danon

doi:10.1016/0304-8853(86)90022-3

Self-consistent cluster calculations of local magnetic properties of Fe-Ni alloys

Diana Guenzburger^*, Donald E Ellis, J. A. Danon

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

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 H_c 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.

Original language	English (US)
Pages (from-to)	139-144
Number of pages	6
Journal	Journal of Magnetism and Magnetic Materials
Volume	59
Issue number	1-2
DOIs	https://doi.org/10.1016/0304-8853(86)90022-3
State	Published - Jan 1 1986

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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abstract = "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.",

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N2 - 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.

AB - 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.

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