Interface magnetism in metals: Ag/Fe(001)

Journal Article · Sun Jul 01 04:00:00 EDT 1984 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.30.36· OSTI ID:6568472

Ohnishi, S; Weinert, M; Freeman, A J

A study of the effect of an ordered overlayer of Ag on the magnetism of an Fe(001) surface is presented. In order to understand the changes induced at the Ag/Fe interface, a series of self-consistent spin-polarized local-spin-density calculations were carried out with the use of our all-electron, full-potential, linearized augmented-plane-wave method. While the charge density is found to approach the bulk value within approximately one layer of the interface, the spin density at the interface is found to be strongly perturbed. An enhancement of the Fe magnetic moment at the interface (to 2.52..mu../sub B//atom) is predicted which, however, is significantly less than that found for the clean Fe(001) surface (2.95..mu../sub B/). The role of the Ag overlayer in delocalizing the Fe surface states responsible for the increased surface magnetization and the effect on the single-particle spectra is described and discussed. The effect of the surface and interface on the contact hyperfine fields is evaluated: The (negative) core-polarization contribution is found to scale with the moment, but the valence contribution changes sign from negative in the interior to positive at the surface. The physical basis and the relationship of these results to the interpretation of Moessbauer-effect measurements of the hyperfine field are described.

• Research Organization: Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60201 and Fundamental Research Laboratory, NEC Corporation, 1-1 Miyazaki 4-chome, Miyamae-ku, Kawasaki, Kanagawa 213, Japan
• DOE Contract Number: AC02-76CH00016
• OSTI ID: 6568472
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 30:1; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
CHARGE DENSITY
DATA
ELECTRONIC STRUCTURE
ELEMENTS
HYPERFINE STRUCTURE
INFORMATION
INTERFACES
IRON
LAYERS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
METALS
MOESSBAUER EFFECT
NUMERICAL DATA
ORIENTATION
PHYSICAL PROPERTIES
SCALING LAWS
SELF-CONSISTENT FIELD
SILVER
SPIN ORIENTATION
SURFACES
THEORETICAL DATA
TRANSITION ELEMENTS