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

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Abstract

Studies of the structural, electronic, and magnetic properties of a model 3d 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 M=3.07B) are remarkably close to that of a free-standing Fe monolayer (with a giant moment M=3.10B), 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 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(M=2.96B) shows features close to that of a free bcc Fe(001) surface (M=2.96B). Significantly, the magnetic moment of the Fe layer that interfaces the MgO substrate (M=2.85B) is also largely enhanced from the subsurface moment (2.35B) in bcc Fe(001), again indicating an extremely weak effect from the MgO substrate.

Original languageEnglish
Pages (from-to)780-787
Number of pages8
JournalPhysical Review B
Volume43
Issue number1
DOIs
Publication statusPublished - 1991

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Monolayers
Magnetization
Magnetic moments
Electronic properties
magnetization
Magnetic properties
Substrates
magnetic moments
electronics
magnetic properties
moments
Ferromagnetic materials
energy methods
Magnetic anisotropy
Cermets
Charge transfer
Structural properties
plane waves
Phase transitions
charge transfer

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Giant monolayer magnetization of Fe on MgO : A nearly ideal two-dimensional magnetic system. / Li, Chun; Freeman, Arthur J.

In: Physical Review B, Vol. 43, No. 1, 1991, p. 780-787.

Research output: Contribution to journalArticle

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