Giant monolayer magnetization of Fe on MgO: A nearly ideal two-dimensional magnetic system

Journal Article · Tue Jan 01 04:00:00 EST 1991 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.43.780· OSTI ID:6109958

Li, C; Freeman, A J ^[1]

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1. Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208-3112 (US)

Studies of the structural, electronic, and magnetic properties of a model 3{ital d} ferromagnetic metal-ceramic interface system Fe/MgO(001) by the full-potential linearized augmented-plane-wave total-energy method are reported. Surprisingly, the electronic and magnetic properties of a monolayer of Fe on MgO(001) substrate (magnetic moment {ital M}=3.07{mu}{sub {ital B}}) are remarkably close to that of a free-standing Fe monolayer (with a giant moment {ital M}=3.10{mu}{sub {ital B}}), as a result of the lack of electronic interaction between Fe and MgO. (The charge transfer at the Fe/MgO interface is less than 0.05 {ital e}/atom and so any direct chemical interaction between Fe and MgO is unlikely.) Thus, this system might be an ideal two-dimensional system for studying other phenomena such as magnetic anisotropy, phase transitions, and critical behavior. For two layers of Fe on MgO, i.e., 2Fe/MgO(001), the top layer Fe({ital M}=2.96{mu}{sub {ital B}}) shows features close to that of a free bcc Fe(001) surface ({ital M}=2.96{mu}{sub {ital B}}). Significantly, the magnetic moment of the Fe layer that interfaces the MgO substrate ({ital M}=2.85{mu}{sub {ital B}}) is also largely enhanced from the subsurface moment (2.35{mu}{sub {ital B}}) in bcc Fe(001), again indicating an extremely weak effect from the MgO substrate.

• OSTI ID: 6109958
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 43:1; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ALKALINE EARTH METAL COMPOUNDS
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IRON
MAGNESIUM COMPOUNDS
MAGNESIUM OXIDES
MAGNETIC PROPERTIES
MAGNETIZATION
METALS
OXIDES
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
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TRANSITION ELEMENTS
TWO-DIMENSIONAL CALCULATIONS