Magnetic properties of Fe overlayers on W(001) and the effects of oxygen adsorption

Ruqian Wu*, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

54 Scopus citations


The structural and magnetic properties of Fe monolayers and bilayers on the W(001) substrate and the effects of oxygen adsorption were determined using the all-electron total-energy local-density full-potential linearized augmented plane-wave method. The strong ferromagnetism of the free Fe monolayer is completely destroyed by the Fe-W interaction for monolayer Fe/W(001); instead, a c(2×2) antiferromagnetic configuration becomes the ground state. For bilayer Fe/W(001), a tetragonal rather than bcc structure is formed. The ferromagnetism of the previous dead Fe layer is restored by the additional adsorbed Fe layer; the magnetic moment in the interface and surface Fe layers increase to 1.68B and 2.43B, respectively. These ferromagnetic Fe layers induce a sizable magnetic moment (0.22B) in the interfacial W layer. Finally, oxygen adsorption on bilayer Fe/W(001) is found to decrease greatly the magnetism of the interfacial Fe layerto only 0.7Bbut not to affect the top Fe layer.

Original languageEnglish (US)
Pages (from-to)7532-7535
Number of pages4
JournalPhysical Review B
Issue number13
StatePublished - 1992

ASJC Scopus subject areas

  • Condensed Matter Physics


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