Magnetic and hyperfine properties of fcc Fe

Diana Guenzburger; D. E. Ellis

doi:10.1103/PhysRevB.51.12519

Magnetic and hyperfine properties of fcc Fe

Diana Guenzburger^*, D. E. Ellis

^*Corresponding author for this work

Physics and Astronomy

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

26 Scopus citations

Abstract

First-principles electronic-structure calculations based on density-functional theory were performed for 62-atom embedded clusters representing fcc iron with antiferromagnetic and ferromagnetic spin structures. The results obtained indicate that the large difference observed experimentally in the magnitude of the hyperfine fields of antiferromagnetic and ferromagnetic γ-Fe originates mainly from different signs of the conduction electrons' contribution, and not from large differences in the Fe magnetic moment.

Original language	English (US)
Pages (from-to)	12519-12522
Number of pages	4
Journal	Physical Review B
Volume	51
Issue number	18
DOIs	https://doi.org/10.1103/PhysRevB.51.12519
State	Published - Jan 1 1995

ASJC Scopus subject areas

Condensed Matter Physics

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title = "Magnetic and hyperfine properties of fcc Fe",

abstract = "First-principles electronic-structure calculations based on density-functional theory were performed for 62-atom embedded clusters representing fcc iron with antiferromagnetic and ferromagnetic spin structures. The results obtained indicate that the large difference observed experimentally in the magnitude of the hyperfine fields of antiferromagnetic and ferromagnetic γ-Fe originates mainly from different signs of the conduction electrons' contribution, and not from large differences in the Fe magnetic moment.",

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AB - First-principles electronic-structure calculations based on density-functional theory were performed for 62-atom embedded clusters representing fcc iron with antiferromagnetic and ferromagnetic spin structures. The results obtained indicate that the large difference observed experimentally in the magnitude of the hyperfine fields of antiferromagnetic and ferromagnetic γ-Fe originates mainly from different signs of the conduction electrons' contribution, and not from large differences in the Fe magnetic moment.

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