Magnetism of Fe on W(001) and the effects of oxygen adsorption

Ruqian Wu, Arthur J Freeman

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Structural, electronic and magnetic properties of monolayer and bilayer Fe on W(001), denoted by 1Fe/W(001), and 2Fe/W(001), and oxygen on 2Fe/W(001) have been calculated using the full potential linearized augmented plane wave method. The ferromagnetism of the Fe monolayer is found to be removed by the W(001) substrate (even as a metastable state) for the monolayer Fe/W(001) system; the AFM coupling becomes the ground state. Interestingly, an additional Fe overlayer can activate the ferromagnetism of the 'dead' Fe layer - which indicates the sensitivity of the magnetism to the overlayer thickness for Fe/W(001) especially around monolayer coverages. The bilayer Fe adopts a tetragonal (rather than bcc) structure on W(001), which keeps the interatomic distance between two Fe layers identical to that in bulk bcc Fe (4.69 a.u.). Oxygen adsorption induces a large change of the atomic structure and the Fe magnetic moment (an increase in the top layer and a reduction in the underlayer). Magnetic Fe overlayers induce a large magnetic moment of 0.19-0.22μB on the interfacial W atoms and a very large magnetic hyperfine interaction. The spin density at EF, m(r,EF), is negative in the surface-vacuum region for the bilayer Fe/W(001) system, but becomes positive on oxygen adsorption.

Original languageEnglish
Pages (from-to)327-345
Number of pages19
JournalJournal of Magnetism and Magnetic Materials
Volume127
Issue number3
DOIs
Publication statusPublished - Oct 2 1993

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Magnetism
Monolayers
Oxygen
Adsorption
ferromagnetism
adsorption
Ferromagnetism
oxygen
magnetic moments
Magnetic moments
atomic structure
metastable state
plane waves
atomic force microscopy
Electronic properties
Ground state
magnetic properties
Structural properties
Magnetic properties
vacuum

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Magnetism of Fe on W(001) and the effects of oxygen adsorption. / Wu, Ruqian; Freeman, Arthur J.

In: Journal of Magnetism and Magnetic Materials, Vol. 127, No. 3, 02.10.1993, p. 327-345.

Research output: Contribution to journalArticle

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