Density functional study of fee iron and iron particles in copper

Diana Guenzburger; D. E. Ellis

doi:10.1063/1.361960

Density functional study of fee iron and iron particles in copper

Diana Guenzburger^*, D. E. Ellis

^*Corresponding author for this work

Physics and Astronomy

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

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Abstract

The first-principles spin-polarized discrete variational method in the framework of density functional theory was employed to investigate the electronic and magnetic structure of fee (γ) Fe and of γ-Fe particles in copper, represented by 62-atom embedded clusters of cubic geometry. The influence of Al substitutional impurities in γ-Fe and in the Fe particle in Cu was also investigated. Magnetic moments and hyperfine fields were obtained.

Original language	English (US)
Pages (from-to)	6429-6431
Number of pages	3
Journal	Journal of Applied Physics
Volume	79
Issue number	8 PART 2B
DOIs	https://doi.org/10.1063/1.361960
State	Published - Apr 15 1996

ASJC Scopus subject areas

General Physics and Astronomy

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10.1063/1.361960

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title = "Density functional study of fee iron and iron particles in copper",

abstract = "The first-principles spin-polarized discrete variational method in the framework of density functional theory was employed to investigate the electronic and magnetic structure of fee (γ) Fe and of γ-Fe particles in copper, represented by 62-atom embedded clusters of cubic geometry. The influence of Al substitutional impurities in γ-Fe and in the Fe particle in Cu was also investigated. Magnetic moments and hyperfine fields were obtained.",

author = "Diana Guenzburger and Ellis, {D. E.}",

year = "1996",

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day = "15",

doi = "10.1063/1.361960",

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volume = "79",

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journal = "Journal of Applied Physics",

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T1 - Density functional study of fee iron and iron particles in copper

AU - Guenzburger, Diana

AU - Ellis, D. E.

PY - 1996/4/15

Y1 - 1996/4/15

N2 - The first-principles spin-polarized discrete variational method in the framework of density functional theory was employed to investigate the electronic and magnetic structure of fee (γ) Fe and of γ-Fe particles in copper, represented by 62-atom embedded clusters of cubic geometry. The influence of Al substitutional impurities in γ-Fe and in the Fe particle in Cu was also investigated. Magnetic moments and hyperfine fields were obtained.

AB - The first-principles spin-polarized discrete variational method in the framework of density functional theory was employed to investigate the electronic and magnetic structure of fee (γ) Fe and of γ-Fe particles in copper, represented by 62-atom embedded clusters of cubic geometry. The influence of Al substitutional impurities in γ-Fe and in the Fe particle in Cu was also investigated. Magnetic moments and hyperfine fields were obtained.

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U2 - 10.1063/1.361960

DO - 10.1063/1.361960

M3 - Article

AN - SCOPUS:0041603266

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EP - 6431

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 8 PART 2B

ER -

Density functional study of fee iron and iron particles in copper

Abstract

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