Enhanced surface and interface magnetism of bcc Ni overlayers on Fe(001)

Journal Article · Fri Jan 01 04:00:00 EST 1993 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.47.810· OSTI ID:6887685

Lee, J I; Hong, S C; Freeman, A J ^[1]; Fu, C L ^[2]

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1. Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208 (United States)
2. Metals and Ceramics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

The surface and interface magnetism of metastable bcc Ni as an overlayer on Fe(001)---originally synthesized by Heinrich [ital et] [ital al].$mdash---is investigated using the highly precise total-energy full-potential linearized augmented plane-wave method. Two systems---a monolayer (1Ni/Fe) and a bilayer (2Ni/Fe) coverage on Fe(001)---are investigated and compared. The Ni-Fe interlayer spacings are found to be relaxed downward by 2.5% and 4% for 1Ni/Fe and 2Ni/Fe, respectively. The effect of the Ni-Fe hybridization on the electronic and magnetic properties is examined. In both overlayer systems the magnetic moments at the interface Ni and Fe sites are enhanced relative to their corresponding bulk values. The magnetic moment (0.69[mu][sub [ital B]]) of the surface Ni atom of 2Ni/Fe is found to be reduced from that (0.86[mu][sub [ital B]]) of the surface Ni atom on 1Ni/Fe. A manifestation of the moment enhancement at the interface Fe site is a positive contribution to the hyperfine field from the valence electrons.

• DOE Contract Number: AC05-84OR21400
• OSTI ID: 6887685
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 47:2; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BCC LATTICES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELECTRONIC STRUCTURE
ELEMENTS
MAGNETIC MOMENTS
MAGNETISM
METALS
NICKEL
TRANSITION ELEMENTS