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Selected Works

Condensed Matter Physics

1991

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Full-Text Articles in Physics

The Slater–Pauling Curve: First Principles Calculations Of The Moments Of Fe1 − C Ni C And V1 − C Fe C, Duane D. Johnson, F. J. Pinski, J. B. Staunton Dec 1990

The Slater–Pauling Curve: First Principles Calculations Of The Moments Of Fe1 − C Ni C And V1 − C Fe C, Duane D. Johnson, F. J. Pinski, J. B. Staunton

Duane D. Johnson

We have performed calculations of the electronic structure of the random substitutional alloys Fe1−c Ni c and V1−c Fe c using the spin‐polarized, self‐consistent Korringa–Kohn–Rostoker coherent‐potential approximation (KKR‐CPA) method. This is a first principles method based on spin density functionaltheory and a local spin density approximation for the exchange and correlation functional. For fcc Fe1−c Ni c , a range of volumes were considered for 0.25