First-principles exchange interactions in Fe, Ni, and Co

Journal Article · Thu Apr 01 00:00:00 EST 1999 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.370495· OSTI ID:336620

van Schilfgaarde, M ^[1]; Antropov, V P ^[2]

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1. Sandia National Laboratories, Livermore, California 94551 (United States)
2. Ames Laboratory, Iowa State University, Ames, Iowa 50011 (United States)

Using a multiple-scattering approach and the local-density and rigid-spin approximations, the exchange interactions are calculated for Fe, Ni, and Co, and the spin-wave spectrum obtained. The interactions contributing to the spin-wave spectrum are found to be rather long-ranged. The exchange parameters are calculated as a function of band filling, and predict transition to antiferromagnetic behavior for electron-deficient alloys of bcc Fe and fcc Co. {copyright} {ital 1999 American Institute of Physics.}

• OSTI ID: 336620
• Journal Information: Journal of Applied Physics, Vol. 85, Issue 8; Other Information: PBD: Apr 1999
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
IRON
NICKEL
COBALT
EXCHANGE INTERACTIONS
SPIN WAVES
ELECTRON DENSITY
MULTIPLE SCATTERING
PHASE TRANSFORMATIONS
FERROMAGNETIC MATERIALS